Comparative pharmacophore development for inhibitors of human and rat 5-α-reductase

Title: Comparative pharmacophore development for inhibitors of human and rat 5-α-reductase
Creator: Faragalla, Jane; Bremner, John; Brown, David; Griffith, Renate; Heaton, Andrew
Relation: Journal of Molecular Graphics & Modelling Vol. 22, Issue 1, p. 83-92
Publisher Link: http://dx.doi.org/10.1016/S1093-3263(03)00138-4
Publisher: Elsevier Science Inc.
Resource Type: journal article
Date: 2003
Description: There are a number of diseases where the 5-α-reductase (5AR) enzyme is of therapeutic interest as a drug target. Currently the crystal structure for 5-α-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-α-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.
Subject: 5-α-reductase; inhibitors; structure–activity relationships; pharmacophore; variable weight pharmacophore; training set randomization
Identifier: uon:3009
Identifier: http://hdl.handle.net/1959.13/32359
Identifier: ISSN:1093-3263
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