Identification of Bioactive Natural Products by Pharmacophore-Based Virtual ScreeningSCHUSTER, Daniela; WOLBER, Gerhard.Current pharmaceutical design (Print). 2010, Vol 16, Num 15, pp 1666-1681, issn 1381-6128, 16 p.Article

Identification of Novel Liver X Receptor Activators by Structure-Based ModelingGRAFENSTEIN, Susanne Von; MIHALY-BISON, Judit; WOLBER, Gerhard et al.Journal of chemical information and modeling. 2012, Vol 52, Num 5, pp 1391-1400, issn 1549-9596, 10 p.Article

Discovery of Nonsteroidal 17β-Hydroxysteroid Dehydrogenase 1 Inhibitors by Pharmacophore-Based Screening of Virtual Compound LibrariesSCHUSTER, Daniela; NASHEV, Lyubomir G; KIRCHMAIR, Johannes et al.Journal of medicinal chemistry (Print). 2008, Vol 51, Num 14, pp 4188-4199, issn 0022-2623, 12 p.Article

11β-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approachesROLLINGER, Judith M; KRATSCHMAR, Denise V; SCHUSTER, Daniela et al.Bioorganic & medicinal chemistry. 2010, Vol 18, Num 4, pp 1507-1515, issn 0968-0896, 9 p.Article

Discovery of Novel CB₂ Receptor Ligands by a Pharmacophore-Based Virtual Screening WorkflowMARKT, Patrick; FELDMANN, Clemens; ALTMANN, Karl-Heinz et al.Journal of medicinal chemistry (Print). 2009, Vol 52, Num 2, pp 369-378, issn 0022-2623, 10 p.Article

Taspine : Bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangianaROLLINGER, Judith M; SCHUSTER, Daniela; BAIER, Elisabeth et al.Journal of natural products (Print). 2006, Vol 69, Num 9, pp 1341-1346, issn 0163-3864, 6 p.Article

Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniquesNOHA, Stefan M; ATANASOV, Atanas G; WOLBER, Gerhard et al.Bioorganic & medicinal chemistry letters (Print). 2011, Vol 21, Num 1, pp 577-583, issn 0960-894X, 7 p.Article

In silico discovery of acylated flavonol monorhamnosides from Eriobotrya japonica as natural, small-molecular weight inhibitors of XIAP BIR3PFISTERER, Petra H; CHENXI SHEN; NIKOLOVSKA-COLESKA, Zaneta et al.Bioorganic & medicinal chemistry. 2011, Vol 19, Num 2, pp 1002-1009, issn 0968-0896, 8 p.Article

Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validationSCHUSTER, Daniela; MARKT, Patrick; GRIENKE, Ulrike et al.Bioorganic & medicinal chemistry. 2011, Vol 19, Num 23, pp 7168-7180, issn 0968-0896, 13 p.Article

Characterization of activity and binding mode of glycyrrhetinic acid derivatives inhibiting 11β-hydroxysteroid dehydrogenase type 2KRATSCHMAR, Denise V; VUORINEN, Anna; DA CUNHA, Thierry et al.Journal of steroid biochemistry and molecular biology. 2011, Vol 125, Num 1-2, pp 129-142, issn 0960-0760, 14 p.Article

Pharmacophore-based discovery of a novel cytosolic phospholipase A₂α inhibitorNOHA, Stefan M; JAZZAR, Bianca; KUEHNL, Susanne et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 2, pp 1202-1207, issn 0960-894X, 6 p.Article

Leoligin, the major lignan from Edelweiss, activates cholesteryl ester transfer proteinDUWENSEE, Kristina; SCHWAIGER, Stefan; SCHUSTER, Daniela et al.Atherosclerosis. 2011, Vol 219, Num 1, pp 109-115, issn 0021-9150, 7 p.Article

Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidumGRIENKE, Ulrike; MIHALY-BISON, Judit; BOCHKOV, Valery N et al.Bioorganic & medicinal chemistry. 2011, Vol 19, Num 22, pp 6779-6791, issn 0968-0896, 13 p.Article

Selective inhibition of 11β-hydroxysteroid dehydrogenase 1 by 18α-glycyrrhetinic acid but not 18β-glycyrrhetinic acidCLASSEN-HOUBEN, Dirk; SCHUSTER, Daniela; DA CUNHA, Thierry et al.Journal of steroid biochemistry and molecular biology. 2009, Vol 113, Num 3-5, pp 248-252, issn 0960-0760, 5 p.Article

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 cellsOTTANA, Rosaria; MACCARI, Rosanna; AMUSO, Simona et al.European journal of medicinal chemistry. 2012, Vol 50, pp 332-343, issn 0223-5234, 12 p.Article

Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screeningSCHUSTER, Daniela; KOWALIK, Dorota; LANGER, Thierry et al.Journal of steroid biochemistry and molecular biology. 2011, Vol 125, Num 1-2, pp 148-161, issn 0960-0760, 14 p.Article

Structure-Based Virtual Screening for the Discovery of Natural Inhibitors for Human Rhinovirus Coat ProteinROLLINGER, Judith M; STEINDL, Theodora M; SCHUSTER, Daniela et al.Journal of medicinal chemistry (Print). 2008, Vol 51, Num 4, pp 842-851, issn 0022-2623, 10 p.Article

Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity ScreeningMARKT, Patrick; PETERSEN, Rasmus K; LANGER, Thierry et al.Journal of medicinal chemistry (Print). 2008, Vol 51, Num 20, pp 6303-6317, issn 0022-2623, 15 p.Article

The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug DiscoveryKIRCHMAIR, Johannes; MARKT, Patrick; DISTINTO, Simona et al.Journal of medicinal chemistry (Print). 2008, Vol 51, Num 22, pp 7021-7040, issn 0022-2623, 20 p.Article

Redox and Non-Redox Mechanism of In Vitro Cyclooxygenase Inhibition by Natural QuinonesLANDA, Premysl; KUTIL, Zsofia; VANEK, Tomas et al.Planta medica. 2012, Vol 78, Num 4, pp 326-333, issn 0032-0943, 8 p.Article

The UV-filter benzophenone-1 inhibits 17β-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicalsNASHEV, Lyubomir G; SCHUSTER, Daniela; LAGGNER, Christian et al.Biochemical pharmacology. 2010, Vol 79, Num 8, pp 1189-1199, issn 0006-2952, 11 p.Article

Morphinans and isoquinolines: Acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptorsSCHUSTER, Daniela; SPETEA, Mariana; SCHMIDHAMMER, Helmut et al.Bioorganic & medicinal chemistry. 2010, Vol 18, Num 14, pp 5071-5080, issn 0968-0896, 10 p.Article

In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolensROLLINGER, Judith M; SCHUSTER, Daniela; STUPPNER, Hermann et al.Planta medica. 2009, Vol 75, Num 3, pp 195-204, issn 0032-0943, 10 p.Article

The discovery of new 11β-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screeningSCHUSTER, Daniela; MAURER, Evelyne M; LAGGNER, Christian et al.Journal of medicinal chemistry (Print). 2006, Vol 49, Num 12, pp 3454-3466, issn 0022-2623, 13 p.Article

Synthesis and pharmacological evaluation of 1H-imidazoles as ligands for the estrogen receptor and cytotoxic inhibitors of the cyclooxygenaseWIGLENDA, Thomas; OTT, Ingo; KIRCHER, Brigitte et al.Journal of medicinal chemistry (Print). 2005, Vol 48, Num 20, pp 6516-6521, issn 0022-2623, 6 p.Article