Quantum Chemical Study on Structure-activity Relationship of Several Kinds of Drugs

被引：0

作者：

李小红

程新路

张瑞州

杨向东

机构：

[1] Institute of Atom and Molecular Physics

[2] Sichuan University

[3] Chengdu

[4] China

[5] Xinxiang Teacher’s College

[6] Xinxiang

来源：

结构化学 | 2005年 / 05期

关键词：

D O I：

暂无

中图分类号：

O641.12 [化学键的量子力学理论];

学科分类号：

070304 ; 081704 ;

摘要：

The structure-activity relationship of several drugs with similar structure has been investigated by using ab initio method. The relation between the dipole moments and biological activities of these drugs was judged after comparing their geometric structures, dipole moments and inhibitory concentrations. In principle, new drug molecule could be reasonably designed by altering the place of groups and ultimately, the potential drug could be screened by comparing the dipole moments of obtained molecules.

引用

页码：513 / 520+490 +490

页数：9