期刊
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
卷 22, 期 1, 页码 83-92出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/S1093-3263(03)00138-4
关键词
5-alpha-reductase; inhibitors; structure-activity relationships; pharmacophore; variable weight pharmacophore; training set randomization
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. (C) 2003 Elsevier Science Inc. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据