title: Comparative pharmacophore development for inhibitors of human and rat 5-alpha-reductase.
abstract: There are a number of diseases where the 5-alpha-reductase (5AR) enzyme is of therapeutic interest as a drug target. Currently the crystal structure for 5-alpha-reductase is unavailable, thus ligand-based pharmacophore techniques are beneficial in the drug development process. We have developed pharmacophores to aid inhibitor design for both human types I (preliminary) and II 5-alpha-reductase isozymes and also the rat type II isozyme. To our knowledge, these are the first published pharmacophores for inhibitors of the human type I and rat type II enzymes. A comparison between isozymes and the previously published human type II isozyme pharmacophore is also presented.
authors.affiliation: Department of Chemistry and Institute for Biomolecular Science, University of Wollongong, Wollongong, NSW 2522, Australia. jef02@uow.edu.au
authors.forename: Jane
authors.initials: J
authors.lastname: Faragalla
authors.forename: John
authors.initials: J
authors.lastname: Bremner
authors.forename: David
authors.initials: D
authors.lastname: Brown
authors.forename: Renate
authors.initials: R
authors.lastname: Griffith
authors.forename: Andrew
authors.initials: A
authors.lastname: Heaton
mesh_terms: D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry / Q000494:pharmacology; D042944:Cholestenone 5 alpha-Reductase / Q000037:antagonists & inhibitors / Q000737:chemistry*; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D051381:Rats
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D004791:Enzyme Inhibitors; D042944:Cholestenone 5 alpha-Reductase