Principles for 3D/4D QSAR classification of drugs

被引：61

作者：

Potemkin, Vladimir ^{[1
]}

Grishina, Maria ^{[1
]}

机构：

[1] Chelyabinsk State Univ, Chelyabinsk 454021, Russia

来源：

DRUG DISCOVERY TODAY | 2008年 / 13卷 / 21-22期

关键词：

D O I：

10.1016/j.drudis.2008.07.006

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

The principles for the 3D/4D classification of drugs are introduced in this article. Based on these principles, new techniques for the reconstruction of complementary selfconsistent receptor fields for the classification of drugs, taking into account their multitautomeric and multiconformational states, are created. The series of examples of classification of drugs by their activity (active or nonactive), by their mechanisms of action, by their target and binding site and by the most important stages of their action are given. Prospects for rational drug design are highlighted.

引用

页码：952 / 959

页数：8

共 44 条

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