Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA)

被引：16

作者：

Thilagavathi, R ^{[1
]}

Kumar, R ^{[1
]}

Aparna, V ^{[1
]}

Sobhia, AE ^{[1
]}

Gopalakrishnan, B ^{[1
]}

Chakraborti, AK ^{[1
]}

机构：

[1] Natl Inst Pharmaceut Educ & Res, Dept Med Chem, Nagar 160062, Punjab, India

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2005年 / 15卷 / 04期

关键词：

3D-QSAR; HMG-CoA; imidazolyl heptenoates; N-pyrolyl heptenoates;

D O I：

10.1016/j.bmcl.2004.12.042

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A comparative molecular similarity indices analysis (CoMSIA) of a set of 29 imidazolyl and N-pyrrolyl heptenoates have been performed to find out the structural requirements for 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitory activity. The HMG like side chain, a common moiety of statins, was used to align the molecules. The results guide to design new chemical entities with high potency. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：1027 / 1032

页数：6