HMG-CoA还原酶抑制剂的3D-QSAR研究

被引：6

作者：

万坚 ^{[1
]}

张青叶 ^{[1
]}

刘瑞华 ^{[2
]}

张瑞 ^{[3
]}

机构：

[1] 华中师范大学农药与化学生物学教育部重点实验室

[2] 湖北金海潮科技有限公司

[3] 武汉大学化学与分子科学学院

来源：

华中师范大学学报(自然科学版) | 2005年 / 04期

关键词：

比较分子力场; 他汀类药物; HMG-CoA还原酶;

D O I：

10.19603/j.cnki.1000-1190.2005.04.017

中图分类号：

R972 [心血管系统药物];

学科分类号：

1007 ;

摘要：

HMG-CoA reductase converts HMG-CoA to mevalonate,with this catalysis constituting a committed step in the biosynthesis of cholesterol.So,it's primary drone in treatment coronary artery disease.At present,several statins are available in the drug market,however,up to now the quantitative structure-activity relationship of all of known inhibitors hasn't been reported.In order to provide a theoretical guide for the synthesis of novel inhibitors,the quantitative structure-activity relationship of the inhibitors of HMG-CoA reductase were performed by using 3D-QSAR approach: comparative molecular field analysis（CoMFA）.The computed obtained CoMFA model with（q2=0.4,） r2=0.955,SE=0.110,F=85.335.It not only can be used to explain the structure-activity relationship of compound but also has powerful predictive ability.

引用

页码：487 / 489

页数：3