Comparative molecular field analysis of tyrosine kinase inhibitors

被引：0
|
作者：
Peng, T [1 ]
Pei, JF [1 ]
Zhou, JJ [1 ]
机构：
[1] Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China
来源：
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE | 2003年 / 24卷 / 06期
关键词：
tyrosine kinase inhibitor; comparative molecular field analysis (CoMFA) 3D-QSAR;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Three-dimensional structure-activity relationships of some tyrosine kinase inhibitors were studied by using CoMFA technique. The model can not only be used to predict the compounds in the training set but also the compounds in the test set. The CoMFA contour plots were used to identify several key features including steric and electrostatic fields, which were valuable for us to get insight into the potential mechanism of the intermolecular interactions between inhibitor and the receptor. Suitable steric and electrostatic effects are required for a higher activity.
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页码：1076 / 1079
页数：4
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