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Forschungsdatenbank PMU-SQQUID

SCHUSTER DANIELA BRIGITTE
Universitätsinstitut für Pharmazie

Publikationen

330 Publikationen

2019

Beiträge in Fachzeitschriften

Early inhibition of endothelial retinoid uptake upon myocardial infarction restores cardiac function and prevents cell, tissue, and animal death.
Danzl, K; Messner, B; Doppler, C; Nebert, C; Abfalterer, A; Sakic, A; Temml, V; Heinz, K; Streitwieser, R; Edelmann, T; Mairhofer, M; Grimm, M; Laufer, G; Zierer, A; Stuppner, H; Schuster, D; Ploner, C; Müller, T; Bernhard, D;
J Mol Cell Cardiol. 2019; 126:105-117
Originalarbeiten (Zeitschrift)
Parallel in vitro and in silico investigations into anti-inflammatory effects of non-prenylated stilbenoids.
Lelakova, V; Smejkal, K; Jakubczyk, K; Vesely, O; Landa, P; Vaclavik, J; Bobal, P; Pizova, H; Temml, V; Steinacher, T; Schuster, D; Granica, S; Hanakova, Z; Hosek, J
Food Chem. 2019; 285:431-440
Originalarbeiten (Zeitschrift)
Mushroom Tyrosinase-Based Enzyme Inhibition Assays Are Not Suitable for Bioactivity-Guided Fractionation of Extracts
Mayr, F; Sturm, S; Ganzera, M; Waltenberger, B; Martens, S; Schwaiger, S; Schuster, D; Stuppner, H
J NAT PROD. 2019; 82(1): 136-147.
Originalarbeiten (Zeitschrift)
Synthesis, Biological Evaluation and Structure-Activity Relationships of Diflapolin Analogues as Dual sEH/FLAP Inhibitors
Vieider, L; Romp, E; Temml, V; Fischer, J; Kretzer, C; Schoenthaler, M; Taha, A; Hernandez-Olmos, V; Sturm, S; Schuster, D; Werz, O; Garscha, U; Matuszczak, B
ACS MED CHEM LETT. 2019; 10(1): 62-66.
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Identification of the fungicide epoxiconazole as inhibitor of human 11ß-hydroxylase and aldosterone synthase.
Akram, M; Patt, M; Kaserer, T; Temml, V; Waratchareeyakul, W; Kratschmar, DV; Haupenthal, J; Hartmann, RW; Odermatt, A; Schuster, D;
10. Paracelsus Science Get Together Abstractband 2019.. 2019; -10. Paracelsus Science Get Together; 28.06.2019; Nürnberg.
Abstracts (Zeitschrift)
Identification of the fungicide epoxiconazole by virtual screening and biological assessment as inhibitor of human 11ß-hydroxylase and aldosterone synthase
Akram, M; Patt, M; Kaserer, T; Temml, V; Waratchareeyakul, W; Kratschmar, DV; Haupenthal, J; Hartmann, RW; Odermatt, A; Schuster, D;
Final Programme & Book of Abstracts. 2019; -26th Scientific Congress of the Austrian Pharmaceutical Society ; 25.-27.04.2019; Graz.
Abstracts (Zeitschrift)
Comparison of the 3D structures of ß-Adrenergic Receptors and the Binding Modes of Agonists
Ujiantari, NSO; Schuster, D;
Finale Programm & Book of Abstracts. 2019; -26th Scientific Congress of the Austrian Pharmaceutical Society ; 25.-27.04.2019; Graz.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Optimized in silico bioactivity profiling for efficient target identification of natural compounds.
Schuster, D;
19th International Congress of the International Society for Ethnopharmacology; 12.-14.06.2019; Dresden. 2019.

Originalbeiträge in Sammelwerk (Buchbeitrag)

Fingerprints and Pharmacophores.
Schuster, D;
In: Ranganathan, S; Gribskov, M; Nakai, K; Schönbach Ch (Eds.); editors(s). Encyclopedia of Bioinformatics and Computational Biology.. 2: Elsevier; p. 619-627. (ISBN: 978-0-12-811432-2)

2018

Beiträge in Fachzeitschriften

Discovery of a benzenesulfonamide-based dual inhibitor of microsomal prostaglandin E
Cheung, SY; Werner, M; Esposito, L; Troisi, F; Cantone, V; Liening, S; König, S; Gerstmeier, J; Koeberle, A; Bilancia, R; Rizza, R; Rossi, A; Roviezzo, F; Temml, V; Schuster, D; Stuppner, H; Schubert-Zsilavecz, M; Werz, O; Hanke, T; Pace, S;
Eur J Med Chem. 2018; 156: 815-830.
Originalarbeiten (Zeitschrift)
Magnolol dimer-derived fragments as PPARγ-selective probes.
Dreier, D; Resetar, M; Temml, V; Rycek, L; Kratena, N; Schnürch, M; Schuster, D; Dirsch, VM; Mihovilovic, MD;
Org Biomol Chem. 2018; 16(38): 7019-7028.
Originalarbeiten (Zeitschrift)
Dietary fatty acids sex-specifically modulate guinea pig postnatal development via cortisol concentrations.
Nemeth, M; Millesi, E; Schuster, D; Quint, R; Wagner, KH; Wallner, B;
Sci Rep. 2018; 8(1): 471
Originalarbeiten (Zeitschrift)
Endogenous metabolites of vitamin E limit inflammation by targeting 5-lipoxygenase.
Pein, H; Ville, A; Pace, S; Temml, V; Garscha, U; Raasch, M; Alsabil, K; Viault, G; Dinh, CP; Guilet, D; Troisi, F; Neukirch, K; Konig, S; Bilancia, R; Waltenberger, B; Stuppner, H; Wallert, M; Lorkowski, S; Weinigel, C; Rummler, S; Birringer, M; Roviezzo, F; Sautebin, L; Helesbeux, JJ; Seraphin, D; Mosig, AS; Schuster, D; Rossi, A; Richomme, P; Werz, O; Koeberle, A
NAT COMMUN. 2018; 9(1): 3834
Originalarbeiten (Zeitschrift)
Dihydrochalcone Glucosides from the Subaerial Parts of Thonningia sanguinea and Their in Vitro PTP1B Inhibitory Activities.
Pompermaier, L; Heiss, EH; Alilou, M; Mayr, F; Monizi, M; Lautenschlaeger, T; Schuster, D; Schwaiger, S; Stuppner, H;
J Nat Prod. 2018; 81(9): 209-2100.
Originalarbeiten (Zeitschrift)
Stereoselective Synthesis of the Isomers of Notoincisol A: Assigment of the Absolute Configuration of this Natural Product and Biological Evaluation.
Rycek, L; Ticli, V; Pyszkowski, J; Latkolik, S; Liu, X; Atanasov, AG; Steinacher, T; Bauer, R; Schuster, D; Dirsch, VM; Schnurch, M; Ernst, M; Mihovilovic, MD
J NAT PROD. 2018; 81(11): 2419-2428.
Originalarbeiten (Zeitschrift)
Pharmacophore-based discovery of 2-(phenylamino)aceto-hydrazides as potent eosinophil peroxidase (EPO) inhibitors.
Schuster, D; Zederbauer, M; Langer, T; Kubin, A; Furtmüller, PG;
J Enzyme Inhib Med Chem. 2018; 33(1): 1529-1536.
Originalarbeiten (Zeitschrift)
GAVCA Study: Randomized, Multicenter Trial to Evaluate the Quality of Ventricular Catheter Placement with a Mobile Health Assisted Guidance Technique.
Thomale, UW; Schaumann, A; Stockhammer, F; Giese, H; Schuster, D; Kästner, S; Ahmadi, AS; Polemikos, M; Bock, HC; Gölz, L; Lemcke, J; Hermann, E; Schuhmann, MU; Beez, T; Fritsch, M; Orakcioglu, B; Vajkoczy, P; Rohde, V; Bohner, G;
Neurosurgery. 2018; 83(2): 252-262.
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

The anti-fungal epoxiconazole inhibits human CYP P450 11B1 and CYP P450 11B2: Virtual screening as a tool to find potential endocrine disruptors.
Akram, M; Patt, M; Kaserer, T; Temml, V; Waratchareeyakul, W; Haupenthal, J; Hartmann, RW; Odermatt, A; Schuster, D;
Paracelsus Science Get Together Abstractband 2018.. 2018; 31-31.-Paracelsus Science Get Together 2018; 29.6.2018; Paracelsus Medizinische Privatuniversität Salzburg. (ISBN: 978-3-200-05737-1 )
Abstracts (Zeitschrift)
Computational and in vitro screening identify vitamins and fatty acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Herdlinger, SC; Baumgartner, RR; Steindl, TM; Rollinger, JM; Atanasov, AG; Heiss, EH; Dirsch, VM; Schuster, D;
Paracelsus Science Get Together Abstractband 2018.. 2018; 116-116.-Paracelsus Science Get Together 2018; 29.6.2018; Paracelsus Medizinische Privatuniversität Salzburg. (ISBN: 978-3-200-05737-1 )
Abstracts (Zeitschrift)
Drug repositioning of 10 dihydrochalcones from Malus-leaves using a combined in-silico method.
Mayr, F; Möller, G; Martens, S; Schwaiger, S; Waltenberger, B; Adamski, J; Stuppner, H; Schuster, D;
Paracelsus Science Get Together Abstractband 2018.. 2018; 138-138.-Paracelsus Science Get Together 2018; 29.6.2018; Paracelsus Medizinische Privatuniverisität Salzburg. (ISBN: 978-3-200-05737-1 )
Abstracts (Zeitschrift)
Computational analysis of the interaction between vitamin E derivatives and 5-lipoxygenase.
Temml, V; Pein, H; Pace, S; Garscha, U; Waltenberger, B; Stuppner, H; Roviezzo, F; Helesbeux, JJ; Séraphin, D; Rossi, A; Richomme, P; Werz, O; Koeberle, O; Schuster, D;
Paracelsus Science Get Together Abstractband 2018.. 2018; 23-23.-Paracelsus Science Get Together 2018; 29.6.2018; Paracelsus Medizinische Privatuniversität Salzburg. (ISBN: 978-3-200-05737-1 )
Abstracts (Zeitschrift)
Homology Modeling of ß1 Adrenergic Receptor.
Ujiantari, O; Schuster, D;
Paracelus Science Get Together Abstractband 2018.. 2018; 154-154.-Paracelsus Science Get Together 2018; 29.6.2018; Paracelsus Medizinische Privatuniversität Salzburg. (ISBN: 978-3-200-05737-1 )
Abstracts (Zeitschrift)
Development and validation of pharmacophore models for human cytochrome P450 11 B1 and P450 11B2 inhibition.
Waratchareeyakul, W; Akram, M; Haupenthal, J; Hartmann, RW; Schuster, D;
Paracelsus Science Get Together Abstractband 2018.. 2018; 163-163.-Paracelsus Science Get Together 2018; 29.6.2018; Paracelsus Medizinische Privatuniverstität Salzburg. (ISBN: 978-3-200-05737-1 )
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Molekulares Docking
Schuster, D
Gastvortrag; 07.06.2018; Technische Universität Dresden. 2018.
Tollkirsche und Radon - ist natürlich immer gut und künstlich immer schlecht?
Schuster, D;
Komm ins Uniklinikum; 19.10.2018; Uniklinikum Salzburg. 2018.

Originalbeiträge in Sammelwerk (Buchbeitrag)

Chemoinformatics in Natural Products Research.
Kaserer, T; Schuster, D; Rollinger, JM;
In: Engel, T; Gasteiger, J (Eds.); editors(s). Applied Chemoinformatics: Achievements and Future Opportunities.. Weinheim: Wiley-VCH Verlag GmbH & Co KGaA; p. 207-236. (ISBN: 978-3-527-34201-3)
PharmacophoreModels for Toxicology Prediction
Schuster, D;
In: Ekins, S (Ed.); editors(s). Computational Toxicology: Risk Assessment for Chemicals. Wiley; p. 121-137. (ISBN: 978-1-119-28256-3)
Computational Studies on Natural Products for the Development of Multi-target Drugs
Temml, V; Schuster D;
In: Kunal Roy (Ed.) editors(s). Multi-Target Drug Design Using Chem-Bioinformatic Approaches.. New York, NY: Humana Press; p. 187-201 . (ISBN: 978-1-4939-8732-0)

2017

Beiträge in Fachzeitschriften

Pharmacophore Modeling and in Silico/in Vitro Screening for Human Cytochrome P450 11B1 and Cytochrome P450 11B2 Inhibitors
Akram, M; Waratchareeyakul, W; Haupenthal, J; Hartmann, RW; Schuster, D
FRONT CHEM. 2017; 5: 104
Originalarbeiten (Zeitschrift)
Inhibition of 11β-hydroxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole.
Beck, KR; Bachler, M; Vuorinen, A; Wagner, S; Akram, M; Griesser, U; Temml, V; Klusonova, P; Yamaguchi, H; Schuster, D; Odermatt, A
BIOCHEM PHARMACOL. 2017; 130: 93-103.
Originalarbeiten (Zeitschrift)
Virtual screening applications in short-chain dehydrogenase/reductase research.
Beck, KR; Kaserer, T; Schuster, D; Odermatt, A
J STEROID BIOCHEM. 2017; 171: 157-177.
Übersichtsarbeiten
Linked magnolol dimer as a selective PPARγ agonist - Structure-based rational design, synthesis, and bioactivity evaluation.
Dreier, D; Latkolik, S; Rycek, L; Schnurch, M; Dymakova, A; Atanasov, AG; Ladurner, A; Heiss, EH; Stuppner, H; Schuster, D; Mihovilovic, MD; Dirsch, VM
SCI REP-UK. 2017; 7(1): 13002
Originalarbeiten (Zeitschrift)
Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17 beta-Hydroxysteroid Dehydrogenases
Engeli, RT; Rohrer, SR; Vuorinen, A; Herdlinger, S; Kaserer, T; Leugger, S; Schuster, D; Odermatt, A
INT J MOL SCI. 2017; 18(9): 2007
Originalarbeiten (Zeitschrift)
Pharmacological profile and efficiency in vivo of diflapolin, the first dual inhibitor of 5-lipoxygenase-activating protein and soluble epoxide hydrolase.
Garscha, U; Romp, E; Pace, S; Rossi, A; Temml, V; Schuster, D; Konig, S; Gerstmeier, J; Liening, S; Werner, M; Atze, H; Wittmann, S; Weinigel, C; Rummler, S; Scriba, GK; Sautebin, L; Werz, O
SCI REP-UK. 2017; 7(1): 9398
Originalarbeiten (Zeitschrift)
Anti-inflammatory Activity of Natural Geranylated Flavonoids: Cyclooxygenase and Lipoxygenase Inhibitory Properties and Proteomic Analysis.
Hanakova, Z; Hosek, J; Kutil, Z; Temml, V; Landa, P; Vanek, T; Schuster, D; Dall'Acqua, S; Cvacka, J; Polansky, O; Smejkal, K
J NAT PROD. 2017; 80(4): 999-1006.
Originalarbeiten (Zeitschrift)
The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study.
Hitzenberger, M; Schuster, D; Hofer, TS
FRONT CHEM. 2017; 5: 76
Originalarbeiten (Zeitschrift)
A combinatorial approach for the discovery of cytochrome P450 2D6 inhibitors from nature.
Hochleitner, J; Akram, M; Ueberall, M; Davis, RA; Waltenberger, B; Stuppner, H; Sturm, S; Ueberall, F; Gostner, JM; Schuster, D
SCI REP-UK. 2017; 7(1): 8071
Originalarbeiten (Zeitschrift)
Importance of 5/6-aryl substitution on the pharmacological profile of 4"-((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)-[1,1"-biphenyl]-2-carboxylic acid derived PPARγ agonists.
Obermoser, V; Mauersberger, R; Schuster, D; Czifersky, M; Lipova, M; Siegl, M; Kintscher, U; Gust, R
Eur J Med Chem. 2017; 126:590-603
Originalarbeiten (Zeitschrift)
Optimization of benzoquinone and hydroquinone derivatives as potent inhibitors of human 5-lipoxygenase.
Peduto, A; Scuotto, M; Krauth, V; Roviezzo, F; Rossi, A; Temml, V; Esposito, V; Stuppner, H; Schuster, D; DxxxAgostino, B; Schiraldi, C; de Rosa, M; Werz, O; Filosa, R
Eur J Med Chem. 2017; 127:715-726
Originalarbeiten (Zeitschrift)
Discovery of the first dual inhibitor of the 5-lipoxygenase-activating protein and soluble epoxide hydrolase using pharmacophore-based virtual screening.
Temml, V; Garscha, U; Romp, E; Schubert, G; Gerstmeier, J; Kutil, Z; Matuszczak, B; Waltenberger, B; Stuppner, H; Werz, O; Schuster, D
Sci Rep. 2017; 7:42751
Originalarbeiten (Zeitschrift)
Potential Antiosteoporotic Natural Product Lead Compounds That Inhibit 17β-Hydroxysteroid Dehydrogenase Type 2.
Vuorinen, A; Engeli, RT; Leugger, S; Bachmann, F; Akram, M; Atanasov, AG; Waltenberger, B; Temml, V; Stuppner, H; Krenn, L; Ateba, SB; Njamen, D; Davis, RA; Odermatt, A; Schuster, D
J Nat Prod. 2017; 80(4):965-974
Originalarbeiten (Zeitschrift)
Phenylbenzenesulfonates and -sulfonamides as 17β-hydroxysteroid dehydrogenase type 2 inhibitors: Synthesis and SAR-analysis.
Vuorinen, A; Engeli, RT; Leugger, S; Kreutz, CR; Schuster, D; Odermatt, A; Matuszczak, B
Bioorg Med Chem Lett. 2017; 27(13):2982-2985
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Strategy towards the identification of novel substrates of short-chain dehydrogenases/reductases as exemplified on 11β-HSD1.
Beck, KR; Kratschmar, D; Meyer, A; Schuster, D; Odermatt, A;
Endocrine Abstracts.. 2017; 49: -19th European Congress of Endocrinology (ECE2017); 20.-23.05.2017; Lisbon.
Abstracts (Zeitschrift)
Heterodimeric ligands of the estrogen receptor as potential anti-breast cancer agents.
Knox, A; Fahrner, N; Schuster, D; Gust, R;
Pharma 2030 - Current and Future Challenges Abstractband.. 2017; -Pharma 2030 - Current and Future Challenges (ÖPhG); 20.-22.04.2017; University of Innsbruck.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Three dimensional pharmacophore modeling and model validation of human CYP11B1 and CYP11B2 inhibition, potential targets for treating Cushing's syndrome and congestive heart failure.
Akram, M; Waratchareeyakul, W; Kaserer, T; Haupenthal, J; Hartmann, RW; Schuster, D;
PHARMA 2030 – CURRENT AND FUTURE CHALLENGES; 20.–22.04.2017; University of Innsbruck. 2017.
The polypharmacology of chemicals targeting the endocrine system.
Schuster, D
Gastvortrag, Group Prof. Vollmer; 12.09.2017; ALUMNI Meeting of the TU Dresden. 2017.
Inhibition of 5-lipoxygenase – new aspects of an old target.
Schuster, D;
Gastvortrag; Institute Seminar at the Pharmacognosie, Departement Pharmacie; 19.07.2017; Université d’Angers. 2017.
Die Rezeptor-Liganden-Beziehung in der Pharmazie (The receptor-ligand relationship in pharmacy).
Schuster, D;
PRO SCIENTIA Meeting ; 08.09.2017; Cloister Teplá. 2017.
Docking of azole fungicides into human 11β-HSD1, 11β-HSD2 and murine 11β-HSD2.
Wagner, S; Beck, KR; Bächler, M; Vuorinen, A; Akram, M; Griesser, U; Temml, V; Klusonova, P; Yamaguchi, H; Odermatt, A; Schuster, D;
PHARMA 2030 – current and future challanges; 20.–22.04.2017; University of Innsbruck. 2017.

2016

Beiträge in Fachzeitschriften

Semisynthetic and Natural Garcinoic Acid Isoforms as New mPGES-1 Inhibitors.
Alsabil, K; Suor-Cherer, S; Koeberle, A; Viault, G; Lavaud, A; Temml, V; Waltenberger, B; Schuster, D; Litaudon, M; Lorkowski, S; de Vaumas, R; Helesbeux, JJ; Guilet, D; Stuppner, H; Werz, O; Seraphin, D; Richomme, P
Planta Med. 2016; 82(11-12):1110-1116
Originalarbeiten (Zeitschrift)
Evaluation of tetrabromobisphenol A effects on human glucocorticoid and androgen receptors: A comparison of results from human- with yeast-based in vitro assays.
Beck, KR; Sommer, TJ; Schuster, D; Odermatt, A
Toxicology. 2016; 370:70-77
Originalarbeiten (Zeitschrift)
μ Opioid receptor: novel antagonists and structural modeling.
Kaserer, T; Lantero, A; Schmidhammer, H; Spetea, M; Schuster, D
Sci Rep. 2016; 6:21548
Originalarbeiten (Zeitschrift)
Evaluation of selected 3D virtual screening tools for the prospective identification of peroxisome proliferator-activated receptor (PPAR) γ partial agonists.
Kaserer, T; Obermoser, V; Weninger, A; Gust, R; Schuster, D
Eur J Med Chem. 2016; 124:49-62
Originalarbeiten (Zeitschrift)
Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands.
Kaserer, T; Rigo, R; Schuster, P; Alcaro, S; Sissi, C; Schuster, D
J Chem Inf Model. 2016; 56(3):484-500
Originalarbeiten (Zeitschrift)
hERG Channel Blocking Ipecac Alkaloids Identified by Combined In Silico - In Vitro Screening.
Kratz, JM; Mair, CE; Oettl, SK; Saxena, P; Scheel, O; Schuster, D; Hering, S; Rollinger, JM
Planta Med. 2016; 82(11-12):1009-1015
Originalarbeiten (Zeitschrift)
The 5-lipoxygenase inhibitor RF-22c potently suppresses leukotriene biosynthesis in cellulo and blocks bronchoconstriction and inflammation in vivo.
Schaible, AM; Filosa, R; Krauth, V; Temml, V; Pace, S; Garscha, U; Liening, S; Weinigel, C; Rummler, S; Schieferdecker, S; Nett, M; Peduto, A; Collarile, S; Scuotto, M; Roviezzo, F; Spaziano, G; de Rosa, M; Stuppner, H; Schuster, D; DxxxAgostino, B; Werz, O
Biochem Pharmacol. 2016; 112:60-71
Originalarbeiten (Zeitschrift)
Leoligin, the major lignan from Edelweiss, inhibits 3-hydroxy-3-methyl-glutaryl-CoA reductase and reduces cholesterol levels in ApoE-/- mice.
Scharinger, B; Messner, B; Turkcan, A; Schuster, D; Vuorinen, A; Pitterl, F; Heinz, K; Arnhard, K; Laufer, G; Grimm, M; Stuppner, H; Oberacher, H; Eller, P; Ritsch, A; Bernhard, D
J Mol Cell Cardiol. 2016; 99:35-46
Originalarbeiten (Zeitschrift)
Drugs from nature targeting inflammation (DNTI): a successful Austrian interdisciplinary network project.
Waltenberger, B; Atanasov, AG; Heiss, EH; Bernhard, D; Rollinger, JM; Breuss, JM; Schuster, D; Bauer, R; Kopp, B; Franz, C; Bochkov, V; Mihovilovic, MD; Dirsch, VM; Stuppner, H
Monatsh Chem. 2016; 147:479-491
Übersichtsarbeiten
Discovery of Potent Soluble Epoxide Hydrolase (sEH) Inhibitors by Pharmacophore-Based Virtual Screening.
Waltenberger, B; Garscha, U; Temml, V; Liers, J; Werz, O; Schuster, D; Stuppner, H
J Chem Inf Model. 2016; 56(4):747-762
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Inhibition of 11 beta-hydroxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole
Beck, KR; Bachler, M; Klusonova, P; Vuorinen, A; Schuster, D; Odermatt, A
TOXICOL LETT. 2016; 258: S116-S116.
Abstracts (Zeitschrift)
Pick your poison: hERG-blocking alkaloids in the emetic herbal drug ipecac
Kratz, JM; Mair, CE; Oettl, SK; Saxena, P; Scheel, O; Schuster, D; Hering, S; Rollinger, JM
PLANTA MED. 2016; 82:
Abstracts (Zeitschrift)
A leoligin derivative as farnesoid X receptor agonist and modulator of macrophage cholesterol efflux
Ladurner, A; Wang, L; Holzer, A; Kovarova, L; Linder, T; Schuster, D; Mihovilovic, MD; Atanasov, AG; Dirsch, VM
N-S ARCH PHARMACOL. 2016; 389(1): S35-S35.
Abstracts (Zeitschrift)
Drug adjunction strategies to boost the extinction-promoting effects of neuropeptide S in extinction-deficient mice: searching for small, non-peptidergic agonists
Sartori, SB; Krautscheid, Y; Maurer, V; Keil, TMV; Schmuckermair, C; Murphy, C; Oberhauser, M; Schuster, D; Schwaiger, S; Stuppner, H; Singewald, N
EUR NEUROPSYCHOPHARM. 2016; 26: S615-S616.
Abstracts (Zeitschrift)
Discovery of novel benzoquinones able to potently suppress leukotriene biosynthesis in cellulo and block inflammation in vivo.
Scuotto, M; Schaible, A.M; Krauth, V; Schiraldi, C; Schuster, D; Werz, O; Filosa, R;
EFMC International Symposium on Medicinal Chemistry Abstractband. 2016; -24th EFMC International Symposium on Medicinal Chemistry; 28.08.-.01.09.2016; Manchester.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Bringing together compounds and their biological targets using an in-silico driven approach.
Schuster, D;
Gastvortrag; Institute Seminar in Pharmaceutical Chemistry; 28.04.2016; University of Graz. 2016.
Endocrine modulators among natural products: Identification and consequences for their use.
Schuster, D;
Biological Colloquium; 28.06.2016; Technical University of Dresden. 2016.
Computerbasierte Vorhersagen von Bioaktivität.
Schuster, D;
Gastvortrag; 30.06.2016; TU Dresden. 2016.
Making the most of complementary virtual screening approaches.
Schuster, D;
Symposium on the occasion of the emeritate of Prof. Marc DeMayer; 23.09.2016; University of Leuven. 2016.
On the way to understanding and optimizing 5-lipoxygenase inhibition.
Schuster, D;
Gastvortrag; 04.11.2016; SONAS - Laboratoire de Chimie Organique, Angers. 2016.
Natural products as a rich source for potential anti-osteoporotic lead agents inhibiting 17β-hydroxysteroid dehydrogenase type 2.
Vuorinen, A; Engeli, RT; Leugger, S; Bachmann, F; Akram, M; Atanasov, AG; Waltenberger, B; Temml, V; Stuppner, H; Krenn, L; Ateba, S.B; Njamen, D; Davis, R; Odermatt, A; Schuster, D;
Swiss Society of Pharmacology and Toxicology Spring Meeting; 21.04.2016; Bern. 2016.

2015

Beiträge in Fachzeitschriften

Discovery and resupply of pharmacologically active plant-derived natural products: A review.
Atanasov, AG; Waltenberger, B; Pferschy-Wenzig, EM; Linder, T; Wawrosch, C; Uhrin, P; Temml, V; Wang, LM; Schwaiger, S; Heiss, EH; Rollinger, JM; Schuster, D; Breuss, JM; Bochkov, V; Mihovilovic, MD; Kopp, B; Bauer, R; Dirsch, VM; Stuppner, H
Biotechnol Adv. 2015; 33(8):1582-1614
Übersichtsarbeiten
Accessing biological actions of Ganoderma secondary metabolites by in silico profiling.
Grienke, U; Kaserer, T; Pfluger, F; Mair, CE; Langer, T; Schuster, D; Rollinger, JM
Phytochemistry. 2015; 114:114-124
Originalarbeiten (Zeitschrift)
Human Ether-à-go-go Related Gene (hERG) Channel Blocking Aporphine Alkaloids from Lotus Leaves and Their Quantitative Analysis in Dietary Weight Loss Supplements.
Grienke, U; Mair, CE; Saxena, P; Baburin, I; Scheel, O; Ganzera, M; Schuster, D; Hering, S; Rollinger, JM
J Agric Food Chem. 2015; 63(23):5634-5639
Originalarbeiten (Zeitschrift)
Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases.
Kaserer, T; Beck, KR; Akram, M; Odermatt, A; Schuster, D
Molecules. 2015; 20(12):22799-22832
Übersichtsarbeiten
In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.
Kaserer, T; Hoferl, M; Muller, K; Elmer, S; Ganzera, M; Jager, W; Schuster, D
Mol Inform. 2015; 34(6-7):431-457
Originalarbeiten (Zeitschrift)
Prospective performance evaluation of selected common virtual screening tools. Case study: Cyclooxygenase (COX) 1 and 2.
Kaserer, T; Temml, V; Kutil, Z; Vanek, T; Landa, P; Schuster, D
Eur J Med Chem. 2015; 96:445-457
Originalarbeiten (Zeitschrift)
Effect of Dietary Stilbenes on 5-Lipoxygenase and Cyclooxygenases Activities In Vitro
Kutil, Z; Kvasnicova, M; Temml, V; Schuster, D; Marsik, P; Cusimamani, EF; Lou, JD; Vanek, T; Landa, P
INT J FOOD PROP. 2015; 18(7): 1471-1477.
Originalarbeiten (Zeitschrift)
The influence of the quinone antioxidants tert-butylhydroquinone and 2,5-di-tert-butylhydroquinone on the arachidonic acid metabolism in vitro
Kutil, Z; Kvasnicova, M; Temml, V; Schuster, D; Vanek, T; Fernandez, E; Malik, J; Landa, P
FOOD AGR IMMUNOL. 2015; 26(4): 504-511.
Originalarbeiten (Zeitschrift)
Discovery of novel, non-acidic mPGES-1 inhibitors by virtual screening with a multistep protocol.
Noha, SM; Fischer, K; Koeberle, A; Garscha, U; Werz, O; Schuster, D
Bioorg Med Chem. 2015; 23(15):4839-4845
Originalarbeiten (Zeitschrift)
Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2.
Seebacher, W; Faist, J; Presser, A; Weis, R; Saf, R; Kaserer, T; Temml, V; Schuster, D; Ortmann, S; Otto, N; Bauer, R
Eur J Med Chem. 2015; 101:552-559
Originalarbeiten (Zeitschrift)
Reprint of "In silico methods in the discovery of endocrine disrupting chemicals".
Vuorinen, A; Odermatt, A; Schuster, D
J Steroid Biochem Mol Biol. 2015; 153:93-101
keine Übereinstimmung
Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling.
Vuorinen, A; Schuster, D
Methods. 2015; 71:113-134
Originalarbeiten (Zeitschrift)
Pistacia lentiscus Oleoresin: Virtual Screening and Identification of Masticadienonic and Isomasticadienonic Acids as Inhibitors of 11β-Hydroxysteroid Dehydrogenase 1.
Vuorinen, A; Seibert, J; Papageorgiou, VP; Rollinger, JM; Odermatt, A; Schuster, D; Assimopoulou, AN
Planta Med. 2015; 81(6):525-532
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

In silico pharmacological profiling of Ganoderma secondary metabolites to unravel the polypharmacological nature of Reishi
Grienke, U; Kaserer, T; Pfluger, F; Mair, CE; Schmidtke, M; Langer, T; Schuster, D; Rollinger, JM
PLANTA MED. 2015; 81(16): 1455-1455.
Abstracts (Zeitschrift)
Computer-aided discovery of novel 17β-hydroxysteroid dehydrogenase type 4 (17β-HSD4) inhibitors.
Kaserer, T; Vuorinen, A; Moeller, G; Adamski, J; Schuster, D;
3rd Congress on Steroid Research Abstactband. 2015; -3rd Congress on Steroid Research; 15.-18.11.2015; Chicago.
Abstracts (Zeitschrift)
Vitamin E metabolites as potent inhibitors of 5-lipoxygenase
Koeberle, A; Waltenberger, B; Temml, V; Schuster, D; Sautebin, L; Stuppner, H; Richomme, P; Werz, O
N-S ARCH PHARMACOL. 2015; 388: S26-S27.
Abstracts (Zeitschrift)
Miconidin acetate, a natural 5-lipoxygenase (5-LOX) inhibitor from Eugenia hiemalis Camb. (Myrtaceae)
Zatelli, GA; Temml, V; Kutil, Z; Landa, P; Vanek, T; Falkenberg, M; Schuster, D
PLANTA MED. 2015; 81(16): 1441-1441.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Pharmacophore Modeling and virtual screening to discover cytochrome P450 17 inhibitors among environmental chemicals.
Akram, M; Schuster, D;
29th Molecular Modeling Workshop; 09.-11.03.2015; Erlangen. 2015.
Molecular modeling of cytochrome P450 17 inhibitors for predicting the toxic effects of environmental chemicals.
Akram, M; Schuster, D;
MCBO Science Day & 7th Life Science Day; 27.02.2015; Innsbruck. 2015.
An investigator's guide to the reduction of false positive ADME data on natural products.
Hochleitner, J; Naschberger, M; Ueberall, M; Gostner, JM; Schuster, D; Ueberall, F;
Life Science Innsbruck PhD Symposium 2015; 31.03.-01.04.2015; Innsbruck. 2015.
An investigator's guide to the reduction of false positive ADME data on natural products.
Hochleitner, J; Naschberger, M; Ueberall, M; Gostner, JM; Schuster, D; Ueberall, F;
Summer School "Polyphenols as Drug Leads"; 04.-09.10.2015; Dresden. 2015.
Molecular modeling of μ opioid receptor - ligand interactions and virtual screening for novel ligands.
Kaserer, T; Lantero, A; Schmidhammer, H; Spetea, M; Schuster, D;
Modeling approaches in molecular signalling.; 13.11.2015; London. 2015.
Molecular modeling of μ opioid receptor - ligand interactions and virtual screening for novel ligands.
Kaserer, T; Lantero, A; Schmidhammer, H; Spetea, M; Schuster, D;
UK-QSAR Autumn 2015 meeting; 05.-06.10.2015; Cambridge . 2015.
Modeling enzyme function and inhibition.
Schuster, D;
Gastvortrag; Seminars in Molecular Toxicology; 02.11.2015; University of Basel. 2015.
Environmental chemicals disturbing hormone homeostasis: pharmacophore-based identification and examples.
Schuster, D;
Gastvortrag; National Doctoral Program in Informational and Structural Biology (ISB) 2015 Winter School; 23.-25.11.2015; Levi. 2015.
Identifying food and food additives interfering with hormone homeostasis.
Schuster, D;
Gastvortrag; Institute Seminar in Biological and Environmental Sciences; 26.11.2015; University of Jyväskylä. 2015.
3D Moleküldesign: vom Finden und Optimieren neuer Wirkstoffe.
Schuster, D;
13. Europäischer Chemielehrer/innenkongress; 09.04.2015; Innsbruck. 2015.
Choosing the right in silico tools for your research questions.
Schuster, D;
Minisymposium Computational Structural Biology; 30.10.2015; University of Vienna. 2015.
In silico bioactivity predictions of nature-derived compounds.
Schuster, D;
International Summer School: Plant Derived Polyphenoles as Drug Leads; 06.10.2015; Technical University of Dresden. 2015.
Pharmacophore model-based identification of environmental chemicals inhibiting hydroxysteroid dehydrogenases.
Schuster, D; Vuorinen, A; Engeli, R; Akram, M; Beck, K; Kaserer,T; Odermatt, A;
3rd Congress on Steroid Research; 15.-18.11.2015; Chicago, Illinois . 2015.
Synthesis of new heterocyclic compounds as analogues derivatives of grandisin and veraguensin neolignans, with potential anti-trypanosomatid activity.
Zimmermann, LA; Chiodini, FL; Morotti, AL; Schuster, D; Schenkel, EP; Bernardes, LSC;
MCBO Science Day & 7th Lifescience Day.; 27.02.2015; Innsbruck. 2015.
Synthesis of new heterocyclic compounds as analogues derivative of grandisin and veraguensin neolignans, with potential anti-trypanosomatid activity.
Zimmermann, LA; Chiodini, FL; Morotti, AL; Schuster, D; Schenkel, EP; Bernardes, LSC;
29th Molecular Modeling Workshop; 09.-11.03.2015; Erlangen. 2015.

2014

Beiträge in Fachzeitschriften

Identification of plumericin as a potent new inhibitor of the NF-κB pathway with anti-inflammatory activity in vitro and in vivo.
Fakhrudin, N; Waltenberger, B; Cabaravdic, M; Atanasov, AG; Malainer, C; Schachner, D; Heiss, EH; Liu, R; Noha, SM; Grzywacz, AM; Mihaly-Bison, J; Awad, EM; Schuster, D; Breuss, JM; Rollinger, JM; Bochkov, V; Stuppner, H; Dirsch, VM
Br J Pharmacol. 2014; 171(7):1676-1686
Originalarbeiten (Zeitschrift)
Experimentally validated HERG pharmacophore models as cardiotoxicity prediction tools.
Kratz, JM; Schuster, D; Edtbauer, M; Saxena, P; Mair, CE; Kirchebner, J; Matuszczak, B; Baburin, I; Hering, S; Rollinger, JM
J Chem Inf Model. 2014; 54(10):2887-2901
Originalarbeiten (Zeitschrift)
Pharmacophore modeling, virtual screening, and in vitro testing reveal haloperidol, eprazinone, and fenbutrazate as neurokinin receptors ligands.
Krautscheid, Y; Senning, CJA; Sartori, SB; Singewald, N; Schuster, D; Stuppner, H
J Chem Inf Model. 2014; 54(6):1747-1757
Originalarbeiten (Zeitschrift)
Impact of Wines and Wine Constituents on Cyclooxygenase-1, Cyclooxygenase-2, and 5-Lipoxygenase Catalytic Activity
Kutil, Z; Temml, V; Maghradze, D; Pribylova, M; Dvorakova, M; Schuster, D; Vanek, T; Landa, P
MEDIAT INFLAMM. 2014; 178931
Originalarbeiten (Zeitschrift)
Polyyne hybrid compounds from Notopterygium incisum with peroxisome proliferator-activated receptor gamma agonistic effects.
Liu, X; Kunert, O; Blunder, M; Fakhrudin, N; Noha, SM; Malainer, C; Schinkovitz, A; Heiss, EH; Atanasov, AG; Kollroser, M; Schuster, D; Dirsch, VM; Bauer, R
J Nat Prod. 2014; 77(11):2513-2521
Originalarbeiten (Zeitschrift)
Identification of isosilybin a from milk thistle seeds as an agonist of peroxisome proliferator-activated receptor gamma.
Pferschy-Wenzig, EM; Atanasov, AG; Malainer, C; Noha, SM; Kunert, O; Schuster, D; Heiss, EH; Oberlies, NH; Wagner, H; Bauer, R; Dirsch, VM
J Nat Prod. 2014; 77(4):842-847
Originalarbeiten (Zeitschrift)
Elucidation of the molecular mechanism and the efficacy in vivo of a novel 1,4-benzoquinone that inhibits 5-lipoxygenase.
Schaible, AM; Filosa, R; Temml, V; Krauth, V; Matteis, M; Peduto, A; Bruno, F; Luderer, S; Roviezzo, F; Di Mola, A; de Rosa, M; DxxxAgostino, B; Weinigel, C; Barz, D; Koeberle, A; Pergola, C; Schuster, D; Werz, O
Br J Pharmacol. 2014; 171(9):2399-2412
Originalarbeiten (Zeitschrift)
Pharmacophore modeling for COX-1 and -2 inhibitors with LigandScout in comparison to Discovery Studio.
Temml, V; Kaserer, T; Kutil, Z; Landa, P; Vanek, T; Schuster, D
Future Med Chem. 2014; 6(17):1869-1881
Originalarbeiten (Zeitschrift)
Discovery of new liver X receptor agonists by pharmacophore modeling and shape-based virtual screening.
Temml, V; Voss, CV; Dirsch, VM; Schuster, D
J Chem Inf Model. 2014; 54(2):367-371
Originalarbeiten (Zeitschrift)
Tetra- and pentacyclic triterpene acids from the ancient anti-inflammatory remedy frankincense as inhibitors of microsomal prostaglandin E(2) synthase-1.
Verhoff, M; Seitz, S; Paul, M; Noha, SM; Jauch, J; Schuster, D; Werz, O
J Nat Prod. 2014; 77(6):1445-1451
Originalarbeiten (Zeitschrift)
Ligand-based pharmacophore modeling and virtual screening for the discovery of novel 17β-hydroxysteroid dehydrogenase 2 inhibitors.
Vuorinen, A; Engeli, R; Meyer, A; Bachmann, F; Griesser, UJ; Schuster, D; Odermatt, A
J Med Chem. 2014; 57(14):5995-6007
Originalarbeiten (Zeitschrift)
Pharmacophore Model Refinement for 11β-Hydroxysteroid Dehydrogenase Inhibitors: Search for Modulators of Intracellular Glucocorticoid Concentrations.
Vuorinen, A; Nashev, LG; Odermatt, A; Rollinger, JM; Schuster, D
Mol Inform. 2014; 33(1):15-25
Originalarbeiten (Zeitschrift)
Natural product agonists of peroxisome proliferator-activated receptor gamma (PPARγ): a review.
Wang, LM; Waltenberger, B; Pferschy-Wenzig, EM; Blunder, M; Liu, X; Malainer, C; Blazevic, T; Schwaiger, S; Rollinger, JM; Heiss, EH; Schuster, D; Kopp, B; Bauer, R; Stuppner, H; Dirsch, VM; Atanasov, AG
Biochem Pharmacol. 2014; 92(1):73-89
Übersichtsarbeiten

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Molecular modeling of 11β-hydroxysteroid dehydrogenase type 2 inhibition, glucocorticoid antagonism, and mineralcorticoid agonism for predicting chronic toxic effects of phytochemicals.
Akram, M; Vuorinen, A; Rollinger, JM; Schuster, D;
Molecular Modelling Workshop 2014 Tagungsband.. 2014; 44-44.-28th Molecular Modelling Workshop; 17.-19.03.2014; Erlangen.
Abstracts (Zeitschrift)
Pistacia lentiscus oleoresin: Virtual screening and in vitro 11 beta-hydroxysteroid dehydrogenase 1 inhibition
Assimopoulou, A; Vuorinen, A; Seibert, J; Papageorgiou, V; Odermatt, A; Schuster, D; Rollinger, J
PLANTA MED. 2014; 80(16): 1457-1457.
Abstracts (Zeitschrift)
Discovery and characterization of honokiol from Cortex Magnoliae as a novel promising anti-diabetic lead.
Atanasov, AG; Heiss, EH; Wang, JN; Gu, SP; Bu, J; Malainer, C; Wang, L; Fakhrudin, N; Kramer, MP; Baumgartner, L; Ladurner, A; Vuorinen, A; Noha, SM; Schwaiger, S; Rollinger, JM; Schuster, D; Stuppner, H; Dirsch, VM;
European Journal of Integrative Medicine.. 2014; 6(1):126-126.-2nd Annual Meeting of the Good Practice in Traditional Chinese Medicine (GP-TCM) Research Association; 30.08.2013; Graz.
Abstracts (Zeitschrift)
Synthesis of potential anti-inflammatory agents inspired by nature.
Dreier, D; Rycek, L; Schuster, D; Atanasov, AG; Dirsch, VM; Schnürch, M; Mihovilovic, MD;
4th Meeting of the Paul Ehrlich MedChem Euro PhD Network - Book of Abstracts. 2014; 52-52.-4th Meeting of the Paul Ehrlich MedChem Euro-PhD Network; 20.-22.06.2014; Hradec Králové.
Abstracts (Zeitschrift)
The xxxLotus Leave Dietxxx - A life-threatening experience? hERG channel blocking aporphine alkaloids from Nelumbo nucifera Gaertn
Grienke, U; Mair, CE; Saxena, P; Kratz, JM; Baburin, I; Schuster, D; Hering, S; Rollinger, JM
PLANTA MED. 2014; 80(16): 1370-1370.
Abstracts (Zeitschrift)
Comparative application of common virtual screening tools for the identification of novel μ opioid receptor agonists and antagonists.
Kaserer, T; Spetea, M; Schmidhammer, H; Schuster, D;
Intrinsic Activity.. 2014; 2: 18-18.-20th Scientific Symposium of the Austrian Pharmacological Society APHAR; 26.-27.09-2014; Innsbruck.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Discovery of butein as a natural 17β-hydroxysteroid dehydrogenase type 2 inhibitor by ligand-based pharmacophore modeling.
Akram, M; Vuorinen, A; Bachmann, F; Meyer, A; Odermatt, A; Schuster, D;
International Symposium: Natural Products and Drug Discovery - Future Perspectives; 13.-14.11.2014; Wien. 2014.
Molecular modeling of 11β-hydroxysteroid dehydrogenase type 2 inhibition, glucocorticoid antagonism, and mineralcorticoid agonism for predicting chronic toxic effects of phytochemicals.
Akram, M; Vuorinen, A; Rollinger, JM; Schuster, D;
28th Molecular Modeling Workshop; 17.-19.3.2014; Erlangen. 2014.
Hydroxysteroid dehydrogenase inhibitors as potential endocrine disrupting agents.
Akram, M; Vuorinen, A; Schuster, D;
6th Life Science Meeting; 24.-25.09.2014; Innsbruck. 2014.
Discovery and characterization of honokiol from Magnolia bark as a novel PPARγ agonist.,
Atanasov, AG; Heiss, EH; Wang, JN; Gu, SP; Bu, J; Kramer, MP; Wang, MP; Baumgartner, L; Fakhrudin, N; Ladurner, A; Malainer, C; Vuorinen, A; Noha, SM; Schwaiger, S; Rollinger, JM; Schuster, D; Stuppner, H; Dirsch, VM;
2nd Vascular Biology Meeting; 24.01.2014; Wien. 2014.
Design and synthesis of benzimidazole derivatives as potential nuclear receptor alternate-site modulators for estrogen receptor α.
Fahrner, N; Gibitz-Eisath, N; Noha, S; Schuster, D; Gust, R;
6th Life Science Meeting; 24.-25.09.2014; Innsbruck. 2014.
Identification and prediction of antiviral cardenolides: structure-activity relationships and in silico modeling.
Kratz, JM; Bertol, JW; Pádua, RM; Schuster, D; Kreiss, W; Braga, FC; Simoes, CMO;
2nd Congress of the Brazilian Association of Pharmaceutical Sciences; 24.-27.09.2014; Búzios (RJ). 2014.
Discovery and characterization of polyacetylenes from Notopterygium incisum as novel selective partial PPARγ agonists.
Malainer, C; Blunder, M; Fakhrudin, N; Kramer, AG; Schinkowitz, A; Liu, X; Kunert, O; Schuster, D; Noha, S; Heiss, EH; Dirsch, VM; Bauer, R;
Alterations of metabolic pathways as therapeutic targets; 29.-31.01.2014; Esch-sur-Alzette. 2014.
Targeting the neuropeptide S system for preventing the return of learned fear: augmentation strategies.
Sartori, SB; Maurer, V; Krautscheid, Y; Stuppner, H; Schuster, D; Erdmann, F; Pape, HC; Murphy, C; Schmuckermair, C; Whittle, N; Singewald, N;
6th Life Science Meeting; 24.-25.09.2014; Innsbruck. 2014.
Virtual bioactivity profiling of natural products: principles and case studies.
Schuster, D;
Gastvortrag; Institue Seminar at the Institute of Experimental Botany, Academy of Sciences; 04.12.2014; Prag. 2014.
Virtual screening in natural product research: principles and case studies.
Schuster, D;
Gastvortrag; Institute Seminar at the Faculty of Pharmaceutical Sciences of Ribeirão Preto; 08.05.2014; Universidade de São Paulo, Ribeirão Preto. 2014.
Virtual screening for bioactivity predictions: basics and applications in lead discovery and toxicity assessment.
Schuster, D;
Gastvortrag; Institute Seminar at the Department of Pharmaceutical Sciences, Postgraduate Program; 23.04.2014; Universidade Federal de Santa Catarina, Florianópolis. 2014.
In silico bioactivity profiling: successes and challenges.
Schuster, D;
Gastvortrag; Seminars in Drug Discovery and Development; 19.11.2014; Department of Pharmaceutical Sciences, Pharmacenter, University of Basel. 2014.
Pharmacophore-based virtual screening unveils unexpected off-target effects of natural compounds.
Schuster, D; Elmer, S; Bachmann, F; Saxena, P; Mair, CE; Grienke, U; Kaserer, T; Meyer, A; Vuorinen, A; Baburin, I; Ganzera, M; Stuppner, H; Hering, S; Odermatt, A; Rollinger, JM;
International Symposium: Natural Products and Drug Discovery - Future Perspectives; 13.-14.11.2014; Wien. 2014.
hERG-inhibiting alkaloids from lotos: virtual toxicity predictions and in vitro evaluation.
Schuster, D; Grienke, U; Mair, CE; Kaserer, T; Saxena, P; Kratz, JM; Baburin, I; Hering, S; Rollinger, JM;
50th Congress of the European Societies of Toxicology - Eurotox 2014; 07.-10.09.2014; Edinburgh. 2014.
How reliable are hERG block predictions by in silico activity profiling?
Schuster, D; Kaserer, T; Grienke, U; Mair, CE; Saxena, P; Kratz, JM; Baburin, I; Hering, S; Rollinger, JM;
6th Life Science Meeting; 24.-25.09.2014; Innsbruck. 2014.
Interaction of Carthamus tinctorius lignin arctigenin with the binding site of tryptophan-degrading enzyme indoleamine 2,3-dioxygenase.
Schuster, D; Temml, V; Kühnl, S; Schwaiger, S; Stuppner, H; Fuchs, D;
33rd International Winter-Workshop, Clinical, Chemical and Biochemical Aspects of Pteridines and Related Topics; 25.02.2014; Innsbruck. 2014.
Search for new dual inhibitors of the 5-lipoxygenase-activating protein and soluble epoxide hydrolase with pharmacophore modeling.
Temml, V; Kutil, Z; Romp, E; Garscha, U; Waltenberger, B; Stuppner, H; Werz, O; Schuster, D;
20th EuroQSAR. Understanding Chemical-Biological Interactions; 31.08.-04.09.2014; St. Petersburg. 2014.
Ligand-based pharmacophore modeling and virtual screening for novel 17β-HSD2 inhibitors.
Vuorinen, A; Engeli, R; Meyer, A; Bachmann, F; Schuster, D; Odermatt, A;
20th EuroQSAR - Understanding Chemical-Biological Interactions; 31.08.-04.09.2014; St. Petersburg. 2014.
Pharmacophore modeling and virtual screening for soluble epoxide hydrolase (sEH) inhibitors.
Waltenberger, B; Liers, J; Temml, V; Garscha, U; Werz, O; Schuster, D; Stuppner, H;
International Symposium: Natural Products and Drug Discovery - Future Perspectives; 13.-14.11.2014; Wien. 2014.
Chemical constituents from Maxillaria porphyrostele (Orchidaceae).
Watchareeyakul, W; Schwikkard, SL; Knirsch, W; Schuster, D; Mulholland, DA;
International Symposium: Natural Products and Drug Discovery - Future Perspectives; 13.-14.11.2014; Wien. 2014.

Originalbeiträge in Sammelwerk (Buchbeitrag)

Polypharmacology and adverse bioactivity profiles predict potential toxicity and drug-related ADRs.
Kaserer, T; Temml, V; Schuster, D;
In: Wang, J; Urban, L (Eds.) editors(s). Predictive ADMET: Integrated approaches in drug discovery and development.. Hoboken (NJ), USA: John Wiley & Sons; p. 23-45. (ISBN: 9781118299920)
Pharmacophore-based methods for predicting the inhibition and induction of metabolic enzymes.
Kaserer, T; Temml, V; Schuster, D;
In: Kirchmair, J (Ed.) editors(s). Drug Metabolism Prediction.. Weinheim: Wiley-VCH; p. 351-372. (ISBN: 9783527335664)
In silico-guided strategies for the discovery and rationalization of bioactive natural products.
Pfisterer, PH; Schuster, D; Rollinger, JM; Stuppner, H;
In: Hostettmann (Ed.) editors(s). Handbook of Chemical and Biological Plant Analytical Methods.. John Wiley & Sons;

2013

Beiträge in Fachzeitschriften

Polyacetylenes from Notopterygium incisum--new selective partial agonists of peroxisome proliferator-activated receptor-gamma.
Atanasov, AG; Blunder, M; Fakhrudin, N; Liu, X; Noha, SM; Malainer, C; Kramer, MP; Cocic, A; Kunert, O; Schinkovitz, A; Heiss, EH; Schuster, D; Dirsch, VM; Bauer, R
PLoS One. 2013; 8(4):e61755
Originalarbeiten (Zeitschrift)
Honokiol: a non-adipogenic PPARγ agonist from nature.
Atanasov, AG; Wang, JN; Gu, SP; Bu, J; Kramer, MP; Baumgartner, L; Fakhrudin, N; Ladurner, A; Malainer, C; Vuorinen, A; Noha, SM; Schwaiger, S; Rollinger, JM; Schuster, D; Stuppner, H; Dirsch, VM; Heiss, EH
Biochim Biophys Acta. 2013; 1830(10):4813-4819
Originalarbeiten (Zeitschrift)
Synthesis and biological analysis of benzazol-2-yl piperazine sulfonamides as 11β-hydroxysteroid dehydrogenase 1 inhibitors.
Hofer, S; Kratschmar, DV; Schernthanner, B; Vuorinen, A; Schuster, D; Odermatt, A; Easmon, J
Bioorg Med Chem Lett. 2013; 23(19):5397-5400
Originalarbeiten (Zeitschrift)
Lignans from Carthamus tinctorius suppress tryptophan breakdown via indoleamine 2,3-dioxygenase.
Kuehnl, S; Schroecksnadel, S; Temml, V; Gostner, JM; Schennach, H; Schuster, D; Schwaiger, S; Rollinger, JM; Fuchs, D; Stuppner, H
Phytomedicine. 2013; 20(13):1190-1195
Originalarbeiten (Zeitschrift)
Inhibition of in vitro leukotriene B4 biosynthesis in human neutrophil granulocytes and docking studies of natural quinones.
Landa, P; Kutil, Z; Temml, V; Malik, J; Kokoska, L; Widowitz, U; Pribylova, M; Dvorakova, M; Marsik, P; Schuster, D; Bauer, R; Vanek, T
Nat Prod Commun. 2013; 8(1):105-108
Originalarbeiten (Zeitschrift)
Carbonyl reduction of triadimefon by human and rodent 11β-hydroxysteroid dehydrogenase 1.
Meyer, A; Vuorinen, A; Zielinska, AE; Da Cunha, T; Strajhar, P; Lavery, GG; Schuster, D; Odermatt, A
Biochem Pharmacol. 2013; 85(9):1370-1378
Originalarbeiten (Zeitschrift)
Formation of threohydrobupropion from bupropion is dependent on 11β-hydroxysteroid dehydrogenase 1.
Meyer, A; Vuorinen, A; Zielinska, AE; Strajhar, P; Lavery, GG; Schuster, D; Odermatt, A
Drug Metab Dispos. 2013; 41(9):1671-1678
Originalarbeiten (Zeitschrift)
Impaired oxidoreduction by 11β-hydroxysteroid dehydrogenase 1 results in the accumulation of 7-oxolithocholic acid.
Penno, CA; Morgan, SA; Vuorinen, A; Schuster, D; Lavery, GG; Odermatt, A
J Lipid Res. 2013; 54(10):2874-2883
Originalarbeiten (Zeitschrift)
Potent inhibition of human 5-lipoxygenase and microsomal prostaglandin E₂ synthase-1 by the anti-carcinogenic and anti-inflammatory agent embelin.
Schaible, AM; Traber, H; Temml, V; Noha, SM; Filosa, R; Peduto, A; Weinigel, C; Barz, D; Schuster, D; Werz, O
Biochem Pharmacol. 2013; 86(4):476-486
Originalarbeiten (Zeitschrift)
Interaction of Carthamus tinctorius lignan arctigenin with the binding site of tryptophan-degrading enzyme indoleamine 2,3-dioxygenase.
Temml, V; Kuehnl, S; Schuster, D; Schwaiger, S; Stuppner, H; Fuchs, D
FEBS Open Bio. 2013; 3:450-452
Originalarbeiten (Zeitschrift)
In silico methods in the discovery of endocrine disrupting chemicals.
Vuorinen, A; Odermatt, A; Schuster, D
J Steroid Biochem Mol Biol. 2013; 137:18-26
Übersichtsarbeiten

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Honokiol: a non-adipogenic PPARγ agonist from nature.
Atanasov, AG; Heiss, EH; Wang, JN; Gu, SP; Bu, J; Kramer, MP; Baumgartner, L; Fakhrudin, N; Ladurner, A; Malainer, C; Vuorinen, A; Noha, SM; Schwaiger, S; Rollinger, JM; Schuster, D; Stuppner, H; Dirsch, VM;
Drug Discovery and Selection: When Chemical Biology Meets Drug Design - Books of Abstracts.. 2013; -Drug Discovery and Selection: When Chemical Biology Meets Drug Design; 03.-05.07.2013; Nizza.
Abstracts (Zeitschrift)
Design of nuclear receptor alternate-site modulators - targeting the co-regulator binding site of the estrogen receptor.
Fahrner, N; Follia, V; Noha, SM; Schuster, D; Gust, R;
5th ÖGMBT Annual Meeting - Abstract Book. 2013; 238-239.-5th ÖGMBT Annual Meeting and 5th Life Science Meeting of the Innsbruck Universities; 25.-27.09.2013; Innsbruck.
Abstracts (Zeitschrift)
Pharmacophore-based identification of novel hERG channel blockers of natural origin - Development of a virtual screening workflow and experimental validation
Kratz, JM; Edtbauer, M; Mair, CE; Hering, S; Schuster, D; Rollinger, JM
PLANTA MED. 2013; 79(13): 1113-1113.
Abstracts (Zeitschrift)
Discovery of non-peptide NPSR-agonists by pharmacophore-based virtual screening and in-vitro studies.
Krautscheid, Y; Schuster, D; Schwaiger, S; Sartori, SB; Singewald, N; Stuppner, H;
5th ÖGMBT Annual Meeting - Book of Abstract. 2013; 106-106.-5th ÖGMBT Annual Meeting and 5th Life Science Meeting of the Innsbruck Universities; 25.-27.09.2013; Innsbruck.
Abstracts (Zeitschrift)
Computational design, synthesis and biological testing of novel telmisartan-based PPARγ agonists.
Mauersberger, R; Obermoser, V; Schuster, D; Gust, R;
5th ÖGMBT Annual Meeting - Abstract Book.. 2013; 105-106.-5th ÖGMBT Annual Meeting and 5th Life Science Meeting of the Innsbruck Universities; 25.-27.09.2013; Innsbruck.
Abstracts (Zeitschrift)
Finding hERG-blockers among natural products: virtual screening workflow and experimental validation of hits.
Schuster, D; Edtbauer, M; Kratz, JM; Mair, CE; Baburin, I; Rollinger, JM;
5th ÖGMBT Annual Meeting - Abstract Book. 2013; 98-98.-5th ÖGMBT Annual Meeting and 5th Life Science Meeting of the Innsbruck Universities; 25.-27.09.2013; Innsbruck.
Abstracts (Zeitschrift)
Pharmacophore-based virtual screening as a prioritization tool to assess mechanism-based cardiotoxic effects of small organic molecules
Schuster, D; Edtbauer, M; Kratz, JM; Mair, CE; Hering, S; Rollinger, JM
TOXICOL LETT. 2013; 221: S84-S84.
Abstracts (Zeitschrift)
Identification of new LXR-β modulators by in-silico screening and biological evaluation.
Temml, V; Voss, C; Dirsch, V; Schuster, D;
5th ÖGMBT Annual Meeting - Abstract Book. 2013; 86-86.-5th ÖGMBT Annual Meeting and 5th Life Science Meeting of the Innsbruck Universities; 25.-27.09.2013; Innsbruck.
Abstracts (Zeitschrift)
Pharmacophore-based virtual screening in the search for endocrine disrupting chemicals-Successful case studies
Vuorinen, A; Odermatt, A; Schuster, D
TOXICOL LETT. 2013; 221: S84-S85.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Honokiol: a non-adipogenic PPARγ agonist from nature.
Atanasov, AG; Heiss, EH; Wang, JN; Gu, SP; Bu, J; Kramer, MP; Baumgartner, L; Fakhrudin, N; Ladurner, A; Malainer, C; Vuorinen, A; Noha, SM; Schwaiger, S; Rollinger, JM; Schuster, D; Stuppner, H; Dirsch, VM;
13th International Congress of the Society for Ethnopharmacology; 02.-06.09.2012; Graz. 2013.
Discovery and characterization of honokiol from Magnolia bark as a novel PPARγ agonist.
Atanasov, AG; Heiss, EH; Wang, JN; Gu, SP; Bu, J; Kramer, MP; Wang, MP; Baumgartner, L; Fakhrudin, N; Ladurner, A; Malainer, C; Vuorinen, A; Noha, SM; Schwaiger, S; Rollinger, JM; Schuster, D; Stuppner, H; Dirsch, VM;
Nuclear Receptors and Friends: Roles in Energy Homeostasis and Metabolic Dysfunction; 03.-08.04.2013; Alpbach. 2013.
Discovery of non-peptide NPSR-agonists by pharmacophore-based virtual screening and in-vitro studies.
Krautscheid, Y; Schuster, D; Schwaiger, S; Sartori, SB; Singewald, N; Stuppner, H;
3rd Symposium SFB-TRR 58, Fear, Anxiety, Anxiety Disorders; 11.-13.10.2013; Hamburg. 2013.
Ligand-based pharmacophore modeling leads to the identification of sclareol, lobeline, and azaspirene as neurokinine receptor ligands.
Krautscheid, Y; Senning, CJA; Schwaiger, S; Sartori, SB; Schuster, D; Stuppner, H;
DPhG (German Pharmaceutical Society) Annual Conference; 09.-11.10.2013; Freiburg. 2013.
Inhibition of 5-lipoxygenase, cyclooxygenase-1 and -2 by natural stilbenes.
Landa, P; Kutil, Z; Temml, V; Schuster, D; Vanek, T;
International Conference on Natural Products Utilization (ICNPU): From Plants to Pharmacy Shelf; 03.-06.11.2013; Bansko. 2013.
Side effect predictions using pharmacophore models - General concept and case study on hERG blockers.
Schuster, D; Edtbauer, M; Müller-Kratz, J; Mair, C.E; Baburin, I; Hering, S; Rollinger, JM;
Gastvortrag; 28.10.2013; Freie Universität Berlin, Institute of Pharmaceutical Chemistry. 2013.
Identification and investigation of novel LXR modulators.
Voss, C; Winekenstädde, D; Temml, V; Schuster, D; Rollinger, JM; Stuppner, H; Dirsch, V;
Nuclear Receptors and Friends: Roles in Energy Homeostasis and Metabolic Dysfunction; 03.-08.04.2013; Alpbach. 2013.

Originalbeiträge in Sammelwerk (Buchbeitrag)

Pharmacophore modeling.
Noha, S; Schuster, D;
In: Lill, M (Ed.) editors(s). In silico drug discovery and development.. London: Future Science; p. 80-93. (ISBN: 978-1-909453-01-2)
Addressing drug safety by bioactivity profiling: panels of 3D pharmacophore models.
Schuster, D; Wolber, G;
In: Scheiber, J; Jenkins, J (Eds.) editors(s). In silico Adverse Effect Prediction in Preclinical Drug Discovery.. Weinheim: Wiley-VCH; (ISBN: 9780470455623)
Computational bioactivity profiling.
Temml, V; Kaserer, T; Schuster, D;
In: Ostermann, A; Barden, M (Eds.) editors(s). Scientific computing @ uibk.. Innsbruck: Innsbruck University Press (IUP);

2012

Beiträge in Fachzeitschriften

Catechol alkenyls from Semecarpus anacardium: acetylcholinesterase inhibition and binding mode predictions.
Adhami, HR; Linder, T; Kaehlig, H; Schuster, D; Zehl, M; Krenn, L
J ETHNOPHARMACOL. 2012; 139(1): 142-148.
Originalarbeiten (Zeitschrift)
Discovery of depsides and depsidones from lichen as potent inhibitors of microsomal prostaglandin E2 synthase-1 using pharmacophore models.
Bauer, J; Waltenberger, B; Noha, SM; Schuster, D; Rollinger, JM; Boustie, J; Chollet, M; Stuppner, H; Werz, O
ChemMedChem. 2012; 7(12):2077-2081
Originalarbeiten (Zeitschrift)
The anabolic androgenic steroid fluoxymesterone inhibits 11β-hydroxysteroid dehydrogenase 2-dependent glucocorticoid inactivation.
Furstenberger, C; Vuorinen, A; Da Cunha, T; Kratschmar, DV; Saugy, M; Schuster, D; Odermatt, A
Toxicol Sci. 2012; 126(2):353-361
Originalarbeiten (Zeitschrift)
Redox and non-redox mechanism of in vitro cyclooxygenase inhibition by natural quinones.
Landa, P; Kutil, Z; Temml, V; Vuorinen, A; Malik, J; Dvorakova, M; Marsik, P; Kokoska, L; Pribylova, M; Schuster, D; Vanek, T
Planta Med. 2012; 78(4):326-333
Originalarbeiten (Zeitschrift)
Virtual screening as a strategy for the identification of xenobiotics disrupting corticosteroid action.
Lyubomir, GN; Vuorinen, A; Praxmarer, L; Chantong, B; Cereghetti, D; Winiger, R; Schuster, D; Odermatt, A
PLoS One. 2012; 7(10):e46958
Originalarbeiten (Zeitschrift)
Pharmacophore-based discovery of a novel cytosolic phospholipase A(2)α inhibitor.
Noha, SM; Jazzar, B; Kuehnl, S; Rollinger, JM; Stuppner, H; Schaible, AM; Werz, O; Wolber, G; Schuster, D
Bioorg Med Chem Lett. 2012; 22(2):1202-1207
Originalarbeiten (Zeitschrift)
New 4-[(5-arylidene-2-arylimino-4-oxo-3-thiazolidinyl)methyl]benzoic acids active as protein tyrosine phosphatase inhibitors endowed with insulinomimetic effect on mouse C2C12 skeletal muscle cells.
Ottana, R; Maccari, R; Amuso, S; Wolber, G; Schuster, D; Herdlinger, S; Manao, G; Camici, G; Paoli, P
Eur J Med Chem. 2012; 50:332-343
Originalarbeiten (Zeitschrift)
Identification of novel liver X receptor activators by structure-based modeling.
von Grafenstein, S; Mihaly-Bison, J; Wolber, G; Bochkov, VN; Liedl, KR; Schuster, D
J Chem Inf Model. 2012; 52(5):1391-1400
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Fluoxymesterone inhibits glucocorticoid inactivation
Fuerstenberger, C; Vuorinen, A; Da Cunha, T; Kratschmar, DV; Saugy, M; Schuster, D; Odermatt, A
TOXICOL LETT. 2012; 211: S119-S120.
Abstracts (Zeitschrift)
Prospective performance evaluation of different virtual screening tools for COX-activity prediction.
Kaserer, T; Temml, V; Landa, P; Schuster, D;
19th Euro QSAR - Book of Abstracts.. 2012; -19th Euro QSAR; 26.-30.08.2012; Wien.
Abstracts (Zeitschrift)
Potential anxiolytics acting via the neuropeptide S-receptor
Krautscheid, Y; Noha, SM; Schuster, D; Schwaiger, S; Sartori, S; Singewald, N; Stuppner, H
PLANTA MED. 2012; 78(11): 1103-1103.
Abstracts (Zeitschrift)
Molecular docking of natural products characterized as partial activators of PPAR-γ: Influence of charges for macromolecule modeling.
Noha, SM; Vuorinen, A; Malainer, C; Atanasov, AG; Heiss, EH; Blunder, M; Liu, X; Kunert, O; Dirsch, VM; Bauer, R; Schuster, D;
19th Euro QSAR - Book of Abstracts.. 2012; -19th Euro QSAR; 26.-30.08.2012; Wien.
Abstracts (Zeitschrift)
Pharmacophore modeling of cyclooxygenase-2 in LigandScout and Discovery Studio - a comparison.
Temml, V; Kutil, Z; Landa, P; Schuster, D;
26th Molecular Modelling Workshop - Book of Abstracts.. 2012; 85-85.-26th Molecular Modelling Workshop; 12.-14.03-2012; Erlangen.
Abstracts (Zeitschrift)
Inhibition modes of quinone compounds on 5-lipoxygenase.
Temml, V; Kutil, Z; Landa, P; Schuster, D;
19th Euro QSAR - Book of Abstracts.. 2012; -19th Euro QSAR; 26.-30.08.2012; Wien.
Abstracts (Zeitschrift)
Refinement of pharmacophore models for inhibition of 11b-hydroxysteroid dehydrogenases, regulators of intracellular glucocorticoid concentrations.
Vuorinen, A; Fürstenberger, C; Odermatt, A; Schuster, D;
26th Molecular Modelling Workshop - Book of Abstracts.. 2012; 87-87.-26th Molecular Modelling Workshop; 12.-14.03-2012; Erlangen.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Plumericin isolated from Himatanthus sucuuba is a novel potent NF-κB inhibitor directly targeting IKK-β.
Atanasov, AG; Fakhrudin, N; Waltenberger, B; Cabaravdic, M; Heiss, EH; Noha, SM; Grzywacz, AM; Mihaly-Bison, J; Schuster, D; Breuss, JM; Rollinger, JM; Bochkov, V; Stuppner, H; Dirsch, VM;
EMBO conference on Cellular Signaling & Molecular Medicine; 25.-29.05.2012; Cavtat -Dubrovnik. 2012.
Prospective performance evaluation of different virtual screening tools for COX-activity prediction.
Kaserer, T; Temml, V; Landa, P; Schuster, D;
4th Life Science Meeting Innsbruck Universities; 27.-28.09.2012; Igls. 2012.
Discovery and characterization of polyacetylenes from Notopterygium incisum as novel selective partial PPARγ agonists.
Malainer, C; Blunder, M; Fakhrudin, N; Kramer, AG; Schinkowitz, A; Liu, X; Kunert, O; Schuster, D; Noha, S; Heiss, EH; Dirsch, VM; Bauer, R;
EMBO conference on Cellular Signaling & Molecular Medicine; 25.-29.05.2012; Cavtat-Dubrovnik. 2012.
Molecular docking of natural products characterized as partial activators of PPAR-γ: Influence of charges for macromolecule modeling.
Noha, SM; Vuorinen, A; Malainer, C; Atanasov, AG; Heiss, EH; Blunder, M; Liu, X; Kunert, O; Dirsch, VM; Bauer, R; Schuster, D;
4th Life Science Meeting Innsbruck Universities; 27.-28.09.2012; Igls. 2012.
Pharmacophore models for predicting endocrine disrupting effects of xenobiotics: concept and case studies on steroid modulating enzymes.
Schuster, D;
Endocrine Disruptors 2012; 14.-15.02.2012; Munich. 2012.
Pharmacophore-based virtual screening: concept, setup and validation.
Schuster, D;
Gastvortrag; 20.02.2012; Institute of Pharmaceutical Chemistry, University of Jena. 2012.
Inhibition modes of quinone compounds on 5-lipoxygenase.
Temml, V; Kutil, Z; Landa, P; Schuster, D;
4th Life Science Meeting Innsbruck Universities; 27.-28.09.2012; Igls. 2012.
Molecular modeling of 5-lipoxygenase inhibitors.
Temml, V; Kutil, Z; Landa, P; Schuster, D;
Gastvortrag; 20.02.2012; Institute of Pharmaceutical Chemistry, Institute Seminar, University of Jena . 2012.

2011

Beiträge in Fachzeitschriften

Leoligin, the major lignan from Edelweiss, activates cholesteryl ester transfer protein.
Duwensee, K; Schwaiger, S; Tancevski, I; Eller, K; van Eck, M; Markt, P; Linder, T; Stanzl, U; Ritsch, A; Patsch, JR; Schuster, D; Stuppner, H; Bernhard, D; Eller, P
Atherosclerosis. 2011; 219(1):109-115
Originalarbeiten (Zeitschrift)
Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.
Grienke, U; Mihaly-Bison, J; Schuster, D; Afonyushkin, T; Binder, M; Guan, SH; Cheng, CR; Wolber, G; Stuppner, H; Guo, DA; Bochkov, VN; Rollinger, JM
Bioorg Med Chem. 2011; 19(22):6779-6791
Originalarbeiten (Zeitschrift)
Development of anti-viral agents using molecular modeling and virtual screening techniques.
Kirchmair, J; Distinto, S; Liedl, KR; Markt, P; Rollinger, JM; Schuster, D; Spitzer, GM; Wolber, G;
Infect Disord Drug Targets. 2011; 11(1):64-93
Übersichtsarbeiten
Characterization of activity and binding mode of glycyrrhetinic acid derivatives inhibiting 11β-hydroxysteroid dehydrogenase type 2.
Kratschmar, DV; Vuorinen, A; Da Cunha, T; Wolber, G; Classen-Houben, D; Doblhoffe, O; Schuster, D; Odermatt, A
J Steroid Biochem Mol Biol. 2011; 125(1-2):129-142
Originalarbeiten (Zeitschrift)
Virtual screening against obesity.
Markt, P; Herdlinger, S; Schuster, D
Curr Med Chem. 2011; 18(14):2158-2173
Übersichtsarbeiten
Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques.
Noha, SM; Atanasov, AG; Schuster, D; Markt, P; Fakhrudin, N; Heiss, EH; Schrammel, O; Rollinger, JM; Stuppner, H; Dirsch, VM; Wolber, G
Bioorg Med Chem Lett. 2011; 21(1):577-583
Originalarbeiten (Zeitschrift)
In silico discovery of acylated flavonol monorhamnosides from Eriobotrya japonica as natural, small-molecular weight inhibitors of XIAP BIR3.
Pfisterer, PH; Shen, CX; Nikolovska-Coleska, Z; Schyschka, L; Schuster, D; Rudy, A; Wolber, G; Vollmar, AM; Rollinger, JM; Stuppner, H
Bioorg Med Chem. 2011; 19(2):1002-1009
Originalarbeiten (Zeitschrift)
Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening.
Schuster, D; Kowalik, D; Kirchmair, J; Laggner, C; Markt, P; Aebischer-Gumy, C; Strohle, F; Moller, G; Wolber, G; Wilckens, T; Langer, T; Odermatt, A; Adamski, J
J Steroid Biochem Mol Biol. 2011; 125(1-2):148-161
Originalarbeiten (Zeitschrift)
Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation.
Schuster, D; Markt, P; Grienke, U; Mihaly-Bison, J; Binder, M; Noha, SM; Rollinger, JM; Stuppner, H; Bochkov, VN; Wolber, G
Bioorg Med Chem. 2011; 19(23):7168-7180
Originalarbeiten (Zeitschrift)
Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part II: Identification of enzyme inhibitors from Prasaplai, a Thai traditional medicine.
Waltenberger, B; Schuster, D; Paramapojn, S; Gritsanapan, W; Wolber, G; Rollinger, JM; Stuppner, H
Phytomedicine. 2011; 18(2-3):119-133
Originalarbeiten (Zeitschrift)
Pharmacophore modeling and virtual screening for novel acidic inhibitors of microsomal prostaglandin E₂ synthase-1 (mPGES-1).
Waltenberger, B; Wiechmann, K; Bauer, J; Markt, P; Noha, SM; Wolber, G; Rollinger, JM; Werz, O; Schuster, D; Stuppner, H
J Med Chem. 2011; 54(9):3163-3174
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

In silico approaches to identify FXR-inducing constituents from Ganoderma lucidum - the Chinese mushroom of immortality
Grienke, U; Bison, JM; Schuster, D; Guo, D; Guan, S; Cheng, C; Bochkov, VN; Binder, BR; Wolber, G; Stuppner, H; Rollinger, JM
PLANTA MED. 2011; 77(12): 1243-1244.
Abstracts (Zeitschrift)
A nuclear receptor as drugable target for natural products: In-silico guided discovery of FXR-agonistic triterpenes from Ganoderma lucidum.
Grienke, U; Mihály-Bison, J; Schuster, D; Afonyushkin, T; Binder, M; Guan, SH; Cheng, CR; Wolber, G; Stuppner, H; Guo, DA; Bochkov, VN; Rollinger, JM;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
Benzazol-2-yl piperazine derivatives as 11β-hydroxysteroid dehydrogenase 1 inhibitors: Synthesis and biological studies.
Hofer, S; Schernthanner, B; Schuster, D; Odermatt, A; Easmon, J;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts.. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
Development of novel PPARγ agonists based on the molecular modeling of telmisartan analogues.
Mauersberger, R; Schuster, D; Gust, R;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
Development of a 3D pharmacophore model for inhibitors of NF-kB activation by combining structure-derived information and bias from a set of potent inhibitors.
Noha, SM; Atanasov, AG; Heiss, EH; Fakhrudin, N; Grzywacz, A; Dirsch, VM; Wolber, G; Schuster, D;
25th Molecular Modeling Workshop. 2011; -25th Molecular Modeling Workshop; 04.-06.04.2011; Erlangen.
Abstracts (Zeitschrift)
Discovery of a novel granzyme B inhibitor by pharmacophore- and docking-based virtual screening.
Noha, SM; Wolber, G; Stuppner, H; Jahrdörfer, B; Simmet, T; Schuster, D;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
New cerebrosides and hydroxylated fatty acids from TCM drugs
Rozema, E; Popescu, R; Sonderegger, H; Uhlschmied, C; Fakhrudin, N; Reznicek, G; Atanasov, AG; Heiss, EH; Bonn, GK; Schuster, D; Urban, E; Huck, CW; Dirsch, VM; Kopp, B
PLANTA MED. 2011; 77(12): 1236-1236.
Abstracts (Zeitschrift)
Pharmacophore-based discovery of natural products as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Schuster, D; Baumgartner, RR; Steindl, TM; Herdlinger, S; Rollinger, JM; Atanasov, AG; Heiss, EH; Dirsch, VM;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
Finding and analyzing the binding mode of new cyclooxygenase inhibitors with pharmacophore modeling.
Temml, VS; Kutil, Z; Landa, P; Malik, J; Dvorakova, M; Marsik, P; Kokoska, L; Pribylova, M; Vanek, T; Schuster, D;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts.. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
Pharmacophore models for 11β-hydroxysteroid dehydrogenases, pre-receptor regulators of local glucocorticoid concentrations.
Vuorinen, A; Fürstenberger, C; Odermatt, A; Schuster, D;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts.. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)
Microsomal prostaglandin E2 synthase-1 (mPGES-1): Pharmacophore modeling and virtual screening leading to novel acidic inhibitors.
Waltenberger, B; Wiechmann, K; Bauer, J; Markt, P; Noha, SM; Wolber, G; Rollinger, JM; Werz, O; Schuster, D; Stuppner, H;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011 - Book of Abstracts.. 2011; -Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Binding mode predictions of catechol alkenyls for acetylcholinesterase inhibition.
Adhami, HR; Linder, T; Kaehlig, H; Zehl, M; Schuster, D; Krenn, L;
15th International Congress Phytopharm; 24.-27.07.2011; Nürnberg. 2011.
Identification of anti-diabetic triterpenes from Eriobotrya japonica inhibiting 11β-HSD1.
Brandstötter, S; Kratschmar, DV; Schuster, D; Pfisterer, PH; Stuppner, H; Wolber G; Odermatt, A; Rollinger, JM;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Igls. 2011.
A nuclear receptor as drugable target for natural products: In-silico guided discovery of FXR-agonistic triterpenes from Ganoderma lucidum.
Grienke, U; Mihály-Bison, J; Schuster, D; Afonyushkin, T; Binder, M; Guan, SH; Cheng, CR; Wolber, G; Stuppner, H; Guo, DA; Bochkov, VN; Rollinger, JM;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Innsbruck. 2011.
Characterizing metalloenzyme (urease) interactions by STD NMR and molecular modeling.
Khan, A; Choudhary, I; Schuster, D; Wadood, A; Hofer, TS; ur-Rahman, A;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Igls. 2011.
Biological assessment of novel glycyrrhetinic adic derivatives acting as selective inhibitors for 11β-hydroxysteroid dehydrogenase type 2.
Kratschmar, DV; Vuorinen, A; Da Cunha, T; Wolber, G; Classen-Houben, D; Dobelhoff, O; Schuster, D; Odermatt, A;
Congress on Steroid Research; 27.-29.03.2011; Chicago. 2011.
Pharmacophore modeling of neuropeptide S receptor ligands.
Krautscheid, Y; Noha, SM; Schuster, D; Sartori, S; Singewald, N; Schwaiger, S; Stuppner, H;
Joint Meeting of the Austrian and German Pharmaceutical Societies 2011; 20.-23.09.2011; Innsbruck. 2011.
Development of human peroxidase inhibitors: a turning point in treatment of "autoenzyme-induced" diseases.
Kubin, A; Zederbauer, M; Jessner, G; Weber, C; Meng, P; Schuster, D; Wolber, G; Langer, T; Furtmüller, PG;
7th International Human Peroxidase Meeting 2011; 22.-25.05.2011; Brüssel. 2011.
In vitro cyclooxygenase inhibition by natural quinones and possible mechanism of their action.
Kutil, Z; Temml, V; Landa, P; Malik, J; Kokoska, L; Marsik, P; Schuster, D; Vanek, T; Dvorakova, M;
PharmSciFair; 13.-17.06.2011; Prag. 2011.
Discovery of a novel granzyme B inhibitor by pharmacophore- and docking-based virtual screening.
Noha, SM; Wolber, G; Stuppner, H; Jahrdörfer, B; Simmet, T; Schuster, D;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Igls. 2011.
Computer-based predictions of natural compound bioactivities: Concept and recent success stories.
Schuster, D;
PharmSciFair; 16.06.2011; Prag. 2011.
Pharmacophore-based discovery of natural products as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Schuster, D; Baumgartner, RR; Steindl, TM; Herdlinger, S; Rollinger, JM; Atanasov, AG; Heiss, EH; Dirsch, VM;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Igls. 2011.
Pharmacophore-based virtual screening for the identification of novel inhibitors of 17β-hydroxysteroid dehydrogenases type 3 and 5.
Schuster, D; Kowalik, D; Kirchmair, J; Laggner, C; Markt, P; Aebischer-Gumy, C; Möller, G; Wolber, G; Wilckens, T; Langer, T; Odermatt, A; Adamski, J;
Congress of Steroid Research; 27.-29.03.2011; Chicago. 2011.
Finding and analyzing the binding mode of new cyclooxygenase inhibitors with pharmacophore modeling.
Temml, VS; Kutil, Z; Landa, P; Malik, J; Dvorakova, M; Marsik, P; Kokoska, L; Pribylova, M; Vanek, T; Schuster, D;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Igls. 2011.
Pharmacophore models for 11β-hydroxysteroid dehydrogenases, pre-receptor regulators of local glucocorticoid concentrations.
Vuorinen, A; Fürstenberger, C; Odermatt, A; Schuster, D;
3rd Life Science Meeting Innsbruck Universities; 23.-24.09.2011; Igls. 2011.

Originalbeiträge in Sammelwerk (Buchbeitrag)

Pharmacophore models for virtual screening.
Markt, P; Schuster, D; Langer T;
In: Sotriffer C (Ed.) editors(s). Virtual Screening.. Weinheim: Wiley-VCH; p. 115-152. (ISBN: 9783527326365)

2010

Beiträge in Fachzeitschriften

Computer-aided discovery, validation, and mechanistic characterization of novel neolignan activators of peroxisome proliferator-activated receptor gamma.
Fakhrudin, N; Ladurner, A; Atanasov, AG; Heiss, EH; Baumgartner, L; Markt, P; Schuster, D; Ellmerer, EP; Wolber, G; Rollinger, JM; Stuppner, H; Dirsch, VM
Mol Pharmacol. 2010; 77(4):559-566
Originalarbeiten (Zeitschrift)
The UV-filter benzophenone-1 inhibits 17beta-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals.
Nashev, LG; Schuster, D; Laggner, C; Sodha, S; Langer, T; Wolber, G; Odermatt, A
Biochem Pharmacol. 2010; 79(8):1189-1199
Originalarbeiten (Zeitschrift)
11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches.
Rollinger, JM; Kratschmar, DV; Schuster, D; Pfisterer, PH; Gumy, C; Aubry, EM; Brandstotter, S; Stuppner, H; Wolber, G; Odermatt, A
Bioorg Med Chem. 2010; 18(4):1507-1515
Originalarbeiten (Zeitschrift)
3D pharmacophores as tools for activity profiling.
Schuster, D;
Drug Discov Today Technol. 2010; 7(4):e203-e270
Originalarbeiten (Zeitschrift)
Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.
Schuster, D; Kern, L; Hristozov, DP; Terfloth, L; Bienfait, B; Laggner, C; Kirchmair, J; Grienke, U; Wolber, G; Langer, T; Stuppner, H; Gasteiger, J; Rollinger, JM
Comb Chem High Throughput Screen. 2010; 13(1):54-66
Originalarbeiten (Zeitschrift)
Morphinans and isoquinolines: acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors.
Schuster, D; Spetea, M; Music, M; Rief, S; Fink, M; Kirchmair, J; Schutz, J; Wolber, G; Langer, T; Stuppner, H; Schmidhammer, H; Rollinger, JM
Bioorg Med Chem. 2010; 18(14):5071-5080
Originalarbeiten (Zeitschrift)
Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology.
Schuster, D; Waltenberger, B; Kirchmair, J; Distinto, S; Markt, P; Stuppner, H; Rollinger, JM; Wolber, G
Mol Inform. 2010; 29(1-2):75-86
Originalarbeiten (Zeitschrift)
Identification of bioactive natural products by pharmacophore-based virtual screening.
Schuster, D; Wolber, G
Curr Pharm Des. 2010; 16(15):1666-1681
Übersichtsarbeiten

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Discovery and mechanistic characterization of neolignans as PPAR-gamma agonists
Fakhrudin, N; Ladurner, A; Atanasov, A; Heiss, E; Baumgartner, L; Markt, P; Schuster, D; Ellmerer, E; Wolber, G; Rollinger, J; Stuppner, H; Dirsch, V
FEBS J. 2010; 277: 68-69.
Abstracts (Zeitschrift)
In silico guided search for anti-viral properties of a natural methylenecyclopropane glucoside
Kainz, K; Schuster, D; Krenn, L
PLANTA MED. 2010; 76(12): 1282-1282.
Abstracts (Zeitschrift)
Discovery of 11β-hydroxysteroid dehydrogenase 1 inhibiting triterpenes from Eriobotrya japonica by bioactivity-guided isolation and computational approaches.
Kratschmar, DV; Rollinger, JM; Schuster, D; Pfisterer, PH; Gumy, C; Aubry, EM; Brandstötter, S; Stuppner, H; Wolber, G; Odermatt, A;
Swiss Journal of the Pharmaceutical Industry. 2010; (10):23-23.-3rd Swiss Pharma Science Day; 08.09.2010; Basel.
Abstracts (Zeitschrift)
Biological assessment of novel glycyrrhetinic acid derivatives acting as selective inhibitors for 11β-hydroxysteroid dehydrogenase type 2.
Kratschmar, DV; Vuorinen, A; Da Cunha, T; Wolber, G; Classen-Houben, D; Doblhoff, O; Schuster, D; Odermatt, A;
Swiss Journal of the Pharmaceutical Industry. 2010; (10):23-23.-3rd Swiss Pharma Science Day; 08.09.2010; Basel.
Abstracts (Zeitschrift)
In silico toxicology predictions via pharmacophore-based virtual screening: the discovery of the UV-filter benzophenone-1 as inhibitor of testosterone synthesis.
Nashev, LG; Schuster, D; Laggner, C; Sodha, S; Langer, T; Wolber, G; Odermatt, A;
Swiss Journal of the Pharmaceutical Industry. 2010; (10):20-20.-3rd Swiss Pharma Science Day; 08.09.2010; Basel.
Abstracts (Zeitschrift)
Acylated flavonol monorhamnosides from Eriobotrya japonica as XIAP BIR3 inhibitors revealed by in silica and HPLC-SPE-NMR techniques
Pfisterer, P; Nikolovska-Coleska, Z; Schyschka, L; Schuster, D; Rudy, A; Wolber, G; Vollmar, A; Rollinger, J; Stuppner, H
PLANTA MED. 2010; 76(12): 1344-1345.
Abstracts (Zeitschrift)
In silico access for the discovery of 11 beta-HSD 1 inhibiting triterpenes from Eriobotrya japonica
Rollinger, J; Kratschmar, D; Schuster, D; Pfisterer, P; Brandstotter, S; Stuppner, H; Wolber, G; Odermatt, A
PLANTA MED. 2010; 76(12): 1181-1181.
Abstracts (Zeitschrift)
Bioactive fatty acids and cerebrosides from the TCM drug Arisaema sp.
Rozema, E; Fakhrudin, N; Atanasov, A; Schuster, D; Heiss, E; Sonderegger, H; Krieg, C; Gruber, C; Huck, C; Dirsch, V; Bonn, G; Kopp, B
PLANTA MED. 2010; 76(12): 1170-1170.
Abstracts (Zeitschrift)
Pharmacophore-guided elucidation of the active principle from natural compounds
Schuster, D; Wolber, G
PLANTA MED. 2010; 76(12): 1179-1179.
Abstracts (Zeitschrift)
In silico strategy for the identification of cyclooxygenase inhibitors from the Thai medicinal mixture Prasaplai
Waltenberger, B; Schuster, D; Paramapojn, S; Gritsanapan, W; Wolber, G; Rollinger, J; Stuppner, H
PLANTA MED. 2010; 76(12): 1173-1173.
Abstracts (Zeitschrift)
In silico strategy for the identification of cyclooxygenase inhibitors from the Thai traditional medicinal mixture Prasaplai.
Waltenberger, B; Schuster, D; Paramapojn, S; Gritsanapan, W; Wolber, G; Rollinger, JM; Stuppner, H;
Planta Medica.. 2010; 76(12):76-76.-58th International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research; 29.08.-01.09.2010; Berlin.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Discovery and mechanistic characterization of neolignans as PPAR-gamma agonists.
Fakhrudin, N; Ladurner, A; Atanasov, A.G; Heiss, EH; Baumgartner, L; Markt, P; Schuster, D; Ellmerer, E; Wolber , G; Rollinger, JM; Dirsch, VM;
35th FEBS Congress; 26.06.-01.07.2010; Gothenburg. 2010.
Searching for small-molecule interactions sites in DNA-binding proteins. Case study: FOXO3a.
Kaserer, T; Markt, P; Ausserlechner, MJ; Schuster, D; Obexer, P;
2nd Life Science Meeting Innsbruck Universities; 24.-25.09.2010; Igls. 2010.
Molecular modeling of telmisartan analogues as new PPARg agonists.
Mauersberger, R; Schuster, D; Gust, R;
2nd Life Science Meeting Innsbruck Universities; 24.-25.09.2010; Igls. 2010.
Discovery of novel cPLA2-α inhibitors using pharmacophore-based virtual screening.
Noha, S; Jazzar, B; Seitz, T; Schuster, D; Rollinger, J; Stuppner, H; Werz, O; Wolber, G;
International Workshop Drugs from Nature Targeting Inflammation; 08.-10.04.2010; Innsbruck. 2010.
Development of a pharmacophore model for inhibitors of the NF-kB(p50)/DNA-interface.
Noha, SM; Grzywacz, AM; Fakhrudin, N; Schuster, D; Heiss, EH; Atanasov, AG; Rollinger, JM; Dirsch, VM; Stuppner, H; Wolber, G;
2nd Life Science Meeting Innsbruck Universities; 24.-25.09.2010; Igls. 2010.
Toxicity prediction of drug candidates and environmental chemicals.
Schuster, D;
Gastvortrag im Seminar "Molecular Toxicology"; 10.05.2010; University of Basel. 2010.
In silico toxicology predictions via pharmacophore-based virtual screening: the discovery of the UV filter benzophenone-1 as inhibitor of testosterone synthesis.
Schuster, D; Nashev, LG; Laggner, C; Sodha, S; Langer, T; Wolber, G; Odermatt, A;
2nd Life Science Meeting Innsbruck Universities; 24.-25.09.2010; Igls. 2010.
Identification of cyclooxygenase inhibitors from Prasaplai, a Thai traditional medicine, via virtual parallel screening.
Waltenberger, B; Schuster, D; Paramapojn, S; Gritsanapan, W; Wolber, G; Rollinger, J; Stuppner, H;
International Workshop Drugs from Nature Targeting Inflammation; 08.-10.04.2010; Innsbruck. 2010.
In silico discovery of novel acidic microsomal prostaglandin E2 synthase 1 inhibitors.
Waltenberger, B; Wiechmann, K; Schuster, D; Wolber, G; Rollinger, JM; Werz O; Stuppner, H;
2nd Life Science Meeting Innsbruck Universities; 24.-25.09.2010; Igls. 2010.

2009

Beiträge in Fachzeitschriften

Selective inhibition of 11beta-hydroxysteroid dehydrogenase 1 by 18alpha-glycyrrhetinic acid but not 18beta-glycyrrhetinic acid.
Classen-Houben, D; Schuster, D; Da Cunha, T; Odermatt, A; Wolber, G; Jordis, U; Kueenburg, B
J Steroid Biochem Mol Biol. 2009; 113(3-5):248-252
Originalarbeiten (Zeitschrift)
How to optimize shape-based virtual screening: choosing the right query and including chemical information.
Kirchmair, J; Distinto, S; Markt, P; Schuster, D; Spitzer, GM; Liedl, KR; Wolber, G
J Chem Inf Model. 2009; 49(3):678-692
Originalarbeiten (Zeitschrift)
Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow.
Markt, P; Feldmann, C; Rollinger, JM; Raduner, S; Schuster, D; Kirchmair, J; Distinto, S; Spitzer, GM; Wolber, G; Laggner, C; Altmann, KH; Langer, T; Gertsch, J
J Med Chem. 2009; 52(2):369-378
Originalarbeiten (Zeitschrift)
In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens.
Rollinger, JM; Schuster, D; Danzl, B; Schwalger, S; Markt, P; Schmidtke, M; Gertsch, J; Raduner, S; Wolber, G; Langer, T; Stuppner, H
Planta Med. 2009; 75(3):195-204
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Virtual and real screening of natural products to find effective modulators of protein tyrosine phosphatase PTP1B.
Baumgartner, RR; Steindl, TM; Schuster, D; Rollinger, JM; Wolber, G; Stuppner, H; Atanasov, AG; Heiss, EH; Dirsch, VM
Scientia Pharmaceutica.. 2009; 77: 199-199.-21st Scientific Congress of the Austrian Pharmaceutical Society ; 16.-18.04.2009; Vienna.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Optimized shape-focused virtual screening for enhanced enrichment rates.
Kirchmair, J; Distinto, S; Markt, P; Schuster, D; Spitzer, GM; Liedl, KR; Langer, T; Wolber, G;
7th European Workshop in Drug Design; 24.-30.05.2009; Siena. 2009.
Anti-androgenic effects of the UV-filter benzophenone-1 by inhibition of 17β-hydroxysteroid dehydrogenase type 3.
Nashev, L; Schuster, D; Laggner, C; Sodha, S; Langer, T; Wolber, G; Odermatt, A;
Inaugural Symposium of the Swiss Centre for Applied Human Toxicity; 19.11.2009; University of Geneva. 2009.
Pharmacophore-guided discovery of IKK-β inhibitors.
Noha, S; Atanasov, AG; Schuster, D; Heiss, E; Fakhrudin, N; Kirchmair, J; Markt, P; Dirsch, V; Wolber, G;
21st Scientific Congress of the Austrian Pharmaceutical Society; 16.-18.04.2009; Vienna. 2009.
Virtual screening – basics and applications.
Schuster, D;
Gastvortrag in Seminar series “Computational life sciences”; 30.01.2009; University of Vienna. 2009.
Structure based modeling on liver X receptors.
von Grafenstein, S; Schuster, D; Wolber, G;
Life Science Meeting Innsbruck Universities; 18.-19.09.2009; Igls. 2009.
Structure based modeling on liver X receptors.
von Grafenstein, S; Schuster, D; Wolber, G;
23rd Darmstädter Molecular Modeling Workshop ; 06.-07.09.2009; Erlangen. 2009.
Identification of cyclooxygenase inhibitors from Prasaplai, a Thai traditional medicine, via virtual parallel screening.
Waltenberger, B; Schuster, D; Paramapojn, S; Gritsanapan, W; Wolber, G; Rollinger, JM; Stuppner, H;
Life Science Meeting Innsbruck Universities; 18.-19.09.2009; Igls. 2009.

2008

Beiträge in Fachzeitschriften

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.
Kirchmair, J; Distinto, S; Schuster, D; Spitzer, G; Langer, T; Wolber, G
Curr Med Chem. 2008; 15(20):2040-2053
Übersichtsarbeiten
The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery.
Kirchmair, J; Markt, P; Distinto, S; Schuster, D; Spitzer, GM; Liedl, KR; Langer, T; Wolber, G
J Med Chem. 2008; 51(22):7021-7040
Übersichtsarbeiten
Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening.
Markt, P; McGoohan, C; Walker, B; Kirchmair, J; Feldmann, CL; De Martino, G; Spitzer, G; Distinto, S; Schuster, D; Wolber, G; Laggner, C; Langer, T
J Chem Inf Model. 2008; 48(8):1693-1705
Originalarbeiten (Zeitschrift)
Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening.
Markt, P; Petersen, RK; Flindt, EN; Krjstiansen, K; Kirchmair, J; Spitzer, G; Distinto, S; Schuster, D; Wolber, G; Laggner, C; Langer, T
J Med Chem. 2008; 51(20):6303-6317
Originalarbeiten (Zeitschrift)
Structure-based virtual screening for the discovery of natural inhibitors for human rhinovirus coat protein.
Rollinger, JM; Steindl, TM; Schuster, D; Kirchmair, J; Anrain, K; Ellmerer, EP; Langer, T; Stuppner, H; Wutzler, P; Schmidtke, M
J Med Chem. 2008; 51(4):842-851
Originalarbeiten (Zeitschrift)
Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.
Schuster, D; Nashev, LG; Kirchmair, J; Laggner, C; Wolber, G; Langer, T; Odermatt, A
J Med Chem. 2008; 51(14):4188-4199
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

COMP 266-The performance of 3-D shape-based virtual screening is not necessarily related to the quality of the query conformation
Kirchmair, J; Distinto, S; Markt, P; Schuster, D; Spitzer, GM; Wolber, G
ABSTR PAP AM CHEM S. 2008; 236:
Abstracts (Zeitschrift)
CINF 77-Structure-focused pharmacophore models for teaching and exploring protein-ligand interactions
Langer, T; Wolber, G; Schuster, D
ABSTR PAP AM CHEM S. 2008; 235:
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Differences in binding of 18α- and 18β-glycyrrhetinic acid to 11β-hydroxysteroid dehydrogenase.
Classen-Houben, D; Schuster, D; Odermatt, A; Wolber, G; Kueenburg, B;
18th International Symposium of the Journal of Steroid Biochemistry and Molecular Biology; 18.-21.09.2008; Seefeld. 2008.
The performance of 3D shape-based virtual screening is not necessarily related to the quality of the query conformation.
Kirchmair, J; Distinto, S; Markt, P; Schuster, D; Spitzer, G; Wolber, G;
236th ACS National Meeting; 17.-21.08.2008; Philadelphia, PA. 2008.
Successful application of a combined 3D pharmacophore, 3D shape, and electrostatic similarity virtual screening workflow to discover novel PPAR agonists.
Markt, P; Petersen, RK; Flindt, EN; Kristiansen, K; Kirchmair, J; Spitzer, G; Distinto, S; Schuster, D; Wolber, G; Laggner, C; Langer, T;
236th ACS National Meeting,; 17.-21.08.2008; Philadelphia, PA. 2008.
Anti-androgenic effects of the UV-filter benzophenone-1 by inhibition of 17β-hydroxysteroid dehydrogenase type 3.
Nashev, LG; Schuster, D; Laggner, C; Langer, T; Wolber, G; Odermatt, A;
18th International Symposium of the Journal of Steroid Biochemistry and Molecular Biology; 18.-21.09.2008; Seefeld. 2008.
Life-long learning: E-learning examples from the PharmXplorer platform.
Schuster, D;
2nd European Workshop on Computer-Aided Learning in the Pharmaceutical Sciences; 06.-07.11.2008; Wien. 2008.
Pharmacophore modeling and virtual screening for 11β-HSD inhibitors.
Schuster, D;
ASPEX Meeting; 12.-.13.06.2008; Kalte Kuchl. 2008.
PharmXplorer – an education and information exchange platform for life sciences.
Schuster, D;
1st Cancer Research Campus Switzerland; 25.-26.01.2008; Zürich. 2008.
Pharmacophore modeling and virtual screening for 17β-hydroxysteroid dehydrogenase type 3 inhibitors.
Schuster, D; Kirchmair, H; Laggner, C; Möller, G; Wolber, G; Wilckens, T; Langer, T; Odermatt, A; Adamski, J
Workshop on Pre-Receptor Steroid Metabolism as Target for Pharmacological Treatment; 26.-28.05.2008; Eibsee Hotel. 2008.

Originalbeiträge in Sammelwerk (Buchbeitrag)

Pharmacophore-based virtual screening in drug discovery.
Laggner, C; Wolber, G; Kirchmair, J; Schuster, D; Langer, T;
In: Varnek, A; Tropsha, A (Eds.) editors(s). Chemoinformatics: An Approach to Virtual Screening.. Cambridge, UK: Royal Society of Chemistry; p. 317-339. (ISBN: 978-0-85404-144-2)
Ligand features essential for cytochrome P450 induction.
Schuster, D; Steindl, T; Langer, T;
In: Klabunde, T; Vaz, R (Eds.) editors(s). Antitargets in Drug Discovery.. Weinheim: Wiley-VCH; p. 317-339. (ISBN: 9783527318216)

2007

Beiträge in Fachzeitschriften

Pharmacophore modeling and parallel screening for PPAR ligands.
Markt, P; Schuster, D; Kirchmair, J; Laggner, C; Langer, T
J Comput Aided Mol Des. 2007; 21(10-11):575-590
Originalarbeiten (Zeitschrift)
Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models.
Steindl, TM; Schuster, D; Laggner, C; Chuang, K; Hoffmann, RD; Langer, T
J Chem Inf Model. 2007; 47(2):563-571
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

COMP 299-How to improve structure-based pharmacophores by modeling the binding site shape
Grona, S; Markt, P; Kirchmair, J; Schuster, D; Langer, T; Laggner, C
ABSTR PAP AM CHEM S. 2007; 234:
Abstracts (Zeitschrift)
CINF 15-Construction of a virtual library of endocrine disruptors for in silico target fishing
Laggner, C; Nashev, LG; Schuster, D; Langer, T; Odermatt, A
ABSTR PAP AM CHEM S. 2007; 234:
Abstracts (Zeitschrift)
Computer-aided discovery of Smac-mimetics within the plant kingdom
Pfisterer, PH; Schuster, D; Rollinger, JM; Langer, T; Stuppner, H
PLANTA MED. 2007; 73(9): 898-899.
Abstracts (Zeitschrift)
CINF 17-Effective and rapid bioactivity profiling using pharmacophore-based parallel screening
Steindl, TM; Schuster, D; Kirchmair, J; Hoffmann, R; Laggner, C; Wolber, G; Langer, T
ABSTR PAP AM CHEM S. 2007; 234:
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Refining pharmacophores for PPAR with information from the binding site shape.
Grona, S; Markt, P; Kirchmair, J; Schuster, D; Langer, T; Laggner, C;
21st Darmstädter Molecular Modelling Workshop in Erlangen; 15.-.16.05.2007; Erlangen. 2007.
Steroid-based pharmacophore modeling and virtual screening to identify non-steroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1.
Nashev, LG; Schuster, D; Kirchmair, J; Langer, T; Odermatt, A;
Annual Meeting of the Swiss Society of Pharmacology and Toxicology (SSPT); 27.-28.09.2007; Bern. 2007.
Statistical evaluation of Smac-mimetics predicted by pharmacophore-based virtual screening of natural product databases.
Pfisterer, PH; Rollinger, JM; Schuster, D; Langer, T; Stuppner, H;
IOCD – International Symposium on the Biology, Chemistry, Pharmacology, and Clinical Studies of Asian Plants; 09.-11.04.2007; Surabaya. 2007.
Pharmaceutical e-learning at the University of Innsbruck.
Schuster, D.
1st European Workshop on Computer-Aided Learning in the Pharmaceutical Sciences; 24-25.09.2007; Wien. 2007.
Deriving non-steroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 by steroid-based pharmacophore modeling and virtual screening.
Schuster, D; Nashev, LG; Kirchmair, J; Odermatt, A; Langer, T;
4th Annual Meeting of the Center of Molecular Biosciences Innsbruck (CMBI); 28.-29.09.2007; Igls. 2007.

2006

Beiträge in Fachzeitschriften

Why is 11beta-hydroxysteroid dehydrogenase type 1 facing the endoplasmic reticulum lumen? Physiological relevance of the membrane topology of 11beta-HSD1.
Odermatt, A; Atanasov, AG; Balazs, Z; Schweizer, RAS; Nashev, LG; Schuster, D; Langer, T
Mol Cell Endocrinol. 2006; 248(1-2):15-23
Originalarbeiten (Konferenzband)
Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.
Rollinger, JM; Schuster, D; Baier, E; Ellmerer, EP; Langer, T; Stuppner, H
J Nat Prod. 2006; 69(9):1341-1346
Originalarbeiten (Zeitschrift)
Development and validation of an in silico P450 profiler based on pharmacophore models.
Schuster, D; Laggner, C; Steindl, TM; Langer, T;
Curr Drug Discov Technol. 2006; 3(1):1-48
Originalarbeiten (Zeitschrift)
Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors.
Schuster, D; Laggner, C; Steindl, TM; Palusczak, A; Hartmann, RW; Langer, T
J Chem Inf Model. 2006; 46(3):1301-1311
Originalarbeiten (Konferenzband)
The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening.
Schuster, D; Maurer, EM; Laggner, C; Nashev, LG; Wilckens, T; Langer, T; Odermatt, A
J Med Chem. 2006; 49(12):3454-3466
Originalarbeiten (Zeitschrift)
Predicting drug metabolism induction in silico.
Schuster, D; Steindl, TM; Langer, T
Curr Top Med Chem. 2006; 6(15):1627-1640
Übersichtsarbeiten
Parallel screening: a novel concept in pharmacophore modeling and virtual screening.
Steindl, TM; Schuster, D; Laggner, C; Langer, T
J Chem Inf Model. 2006; 46(5):2146-2157
Originalarbeiten (Konferenzband)
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
Steindl, TM; Schuster, D; Wolber, G; Laggner, C; Langer, T
J Comput Aided Mol Des. 2006; 20(12):703-715
Originalarbeiten (Zeitschrift)

Publizierte (zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Merits and limits of computational methods for the discovery of natural acetylcholinesterase inhibitors
Rollinger, JM; Schuster, D; Langer, T; Stuppner, H
PLANTA MED. 2006; 72(11): 962-962.
Abstracts (Zeitschrift)
Parallel pharmacophoric profiling as lead optimization tool for the prediction of interactions via the cytochrome P450 enzyme family
Schuster, D; Langer, T
ABSTR PAP AM CHEM S. 2006; 232: 75-75.
Abstracts (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Pharmacophore modeling for ligands of the three peroxisome proliferator-activated receptor subtypes.
Markt, P; Schuster, D; Steindl, T; Laggner, C; Langer, T;
3rd Annual Meeting of the Center of Molecular Biosciences Innsbruck (CMBI); 29.-30.09.2006; Vill. 2006.
Taspine – a potent acetylcholinesterase inhibiting alkaloid from Magnolia x soulangiana.
Rollinger, JM; Baier, E; Schuster, D; Laggner, C; Ellmerer, E. P; Langer, T; Stuppner, H;
19th Scientific Congress of the Austrian Pharmaceutical Society; 20.-22.04.2006; Innsbruck. 2006.
Taspine – a potent acetylcholinesterase inhibiting alkaloid from Magnolia x soulangiana.
Rollinger, JM; Baier, E; Schuster, D; Laggner, C; Ellmerer, EP; Langer, T; Stuppner, H;
3rd Annual Meeting of the Center of Molecular Biosciences Innsbruck (CMBI); 29.-30.09.2006; Vill. 2006.
Data-mining tools for the discovery of bioactive natural products.
Rollinger, JM; Schuster, D;
Gastvortrag ; 10.01.2006; CCC Erlangen, Institute of Organic Chemistry, University of Erlangen-Nürnberg. 2006.
Application of neural networks for finding new CYP2C9 and acetylcholinesterase inhibitors.
Schuster, D;
Gastvortrag; 28.11.2006; CCC Erlangen, Institute of Organic Chemistry, University of Erlangen-Nürnberg,. 2006.
Entdeckung neuer 11β-Hydroxysteroid Dehydrogenase Typ 1 Inhibitoren mit Hilfe von Pharmakophormodellen und virtuellem Screening.
Schuster, D; Maurer, E; Wilckens, T; Odermatt, A; Langer, T;
19th Scientific Congress of the Austrian Pharmaceutical Society; 20.-22.04.2006; Innsbruck. 2006.
Pharmacophore-based activity profiling: a novel in silico parallel screening application.
Steindl, T; Schuster, D; Laggner, C; Langer, T;
16th European Symposium on Quantitative Structure-Activity Relationships & Molecular Modelling; 06.-17.09.2006; Cruise Ship in the Mediterranean Sea. 2006.
17α-Hydroxylase, 17,20-lyase (CYP17). Generation of a special feature for pharmacophore modeling.
Wallnöfer, H; Laggner, C; Schuster, D; Spitzer, G; Langer, T; Liedl, K;
3rd Annual Meeting of the Center of Molecular Biosciences Innsbruck (CMBI); 29.-30.09.2006; Vill. 2006.

2005

Beiträge in Fachzeitschriften

Comparative enzymology of 11beta-hydroxysteroid dehydrogenase type 1 from six species.
Arampatzis, S; Kadereit, B; Schuster, D; Balazs, Z; Schweizer, RAS; Frey, FJ; Langer, T; Odermatt, A
J Mol Endocrinol. 2005; 35(1):89-101
Originalarbeiten (Zeitschrift)
Why drugs fail--a study on side effects in new chemical entities.
Schuster, D; Laggner, C; Langer, T
Curr Pharm Des. 2005; 11(27):3545-3559
Übersichtsarbeiten
The identification of ligand features essential for PXR activation by pharmacophore modeling.
Schuster, D; Langer, T
J Chem Inf Model. 2005; 45(2):431-439
Originalarbeiten (Zeitschrift)
Synthesis and pharmacological evaluation of 1H-imidazoles as ligands for the estrogen receptor and cytotoxic inhibitors of the cyclooxygenase.
Wiglenda, T; Ott, I; Kircher, B; Schumacher, P; Schuster, D; Langer, T; Gust, R
J Med Chem. 2005; 48(20):6516-6521
Originalarbeiten (Zeitschrift)

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Pharmakophormodelling für CYP 17 und CYP 19 Inhibitoren.
Schuster, D;
Gastvortrag; 25.04.2005; University of Saarland, Saarbrücken. 2005.
Pharmacophore modeling for the prediction of compound activity on anti-targets. Case study: cytochrome P450 profiling.
Schuster, D; Langer, T;
2nd Annual Meeting of the Center of Molecular Biosciences Innsbruck (CMBI); 30.09.-01.10.2005; Vill. 2005.

2004

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Pharmacophore modeling for the prediction of compound activity on anti-targets. Case study: the pregnane X receptor (PXR).
Niederreiter, D; Langer, T;
15th European Symposium on Quantitative Structure-Activity Relationships & Molecular Modelling.; 05.-10.09.2004; Istanbul. 2004.
Pharmacophore modeling for the prediction of compound activity on anti-targets. Case study: the hERG potassium channel.
Niederreiter, D; Langer, T;
18th Darmstädter Molecular Modelling Workshop in Erlangen; 18.-19.05.2004; Erlangen. 2004.

2003

Nichtpublizierte (nicht zitierfähige) Beiträge für wissenschaftliche Veranstaltungen

Pharmakophormodelling zur Voraussage von möglichen unerwünschten Arzneimittelwirkungen am Beispiel des hERG-Kanals.
Niederreiter, D; Langer, T;
18th Scientific Congress of the Austrian Pharmaceutical Society; April 2003; Graz. 2003.