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
收藏
页码：646 / 651
页数：6
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