title: Novel lead generation through hypothetical pharmacophore three-dimensional database searching: discovery of isoflavonoids as nonsteroidal inhibitors of rat 5 alpha-reductase.
abstract: A hypothetical pharmacophore of 5 alpha-reductase inhibitors was generated and served as a template in virtual screening. When the pharmacophore was used, eight isoflavone derivatives were characterized as novel potential nonsteroidal inhibitors of rat 5 alpha-reductase. This investigation has demonstrated a practical approach toward the development of lead compounds through a hypothetic pharmacophore via three-dimensional database searching.
authors.forename: G S
authors.initials: GS
authors.lastname: Chen
authors.forename: C S
authors.initials: CS
authors.lastname: Chang
authors.forename: W M
authors.initials: WM
authors.lastname: Kan
authors.forename: C L
authors.initials: CL
authors.lastname: Chang
authors.forename: K C
authors.initials: KC
authors.lastname: Wang
authors.forename: J W
authors.initials: JW
authors.lastname: Chern
mesh_terms: D013741:3-Oxo-5-alpha-Steroid 4-Dehydrogenase / Q000737:chemistry; D058891:5-alpha Reductase Inhibitors; D000818:Animals; D001665:Binding Sites; D016208:Databases, Factual; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D066298:In Vitro Techniques; D007529:Isoflavones / Q000737:chemistry* / Q000494:pharmacology; D008862:Microsomes, Liver / Q000187:drug effects / Q000201:enzymology; D008958:Models, Molecular; D051381:Rats; D013329:Structure-Activity Relationship
chemical_list: D058891:5-alpha Reductase Inhibitors; D004791:Enzyme Inhibitors; D007529:Isoflavones; D013741:3-Oxo-5-alpha-Steroid 4-Dehydrogenase