UPDATE ON COMPUTER-AIDED DRUG DESIGN

被引：38

作者：

JACKSON, RC

机构：

[1] Agouron Pharmaceuticals Inc, San Diego, CA 92121

来源：

CURRENT OPINION IN BIOTECHNOLOGY | 1995年 / 6卷 / 06期

关键词：

CoMFA-comparative molecular field analysis; CoMSIA-comparative molecular similarity index analysis; ICE-interleukin-1β converting enzyme; MMP-matrix metalloprotease; PNP-purine nucleoside phosphorylase; QSAR-quantitative structure-activity relationship; RT-reverse transcriptase;

D O I：

10.1016/0958-1669(95)80106-5

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Recent advances in computational methods for drug design include developments in quantitative structure-activity relationship approaches as well as novel structure-based strategies. Many new protein structures of pharmaceutical interest have been solved, a number of which contain a bound inhibitor. Continued progress has been reported in algorithms for de novo design, ligand docking, and scoring of protein-ligand binding energy. Meanwhile, several drugs that were designed by intensive use of computational methods are advancing through clinical trials.

引用

页码：646 / 651

页数：6

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