Structure-Based Drug Design Strategies in Medicinal Chemistry

被引：124

作者：

Andricopulo, Adriano D. ^{[1
]}

Salum, Livia B. ^{[1
]}

Abraham, Donald J. ^{[2
]}

机构：

[1] Univ Sao Paulo, Inst Fis Sao Carlos, Ctr Biotecnol Mol Estrutural, Lab Quim Med & Computac, BR-13560970 Sao Carlos, SP, Brazil

[2] Virginia Commonwealth Univ, Inst Struct Biol & Drug Discovery, Sch Pharm, Dept Med Chem, Richmond, VA 23284 USA

来源：

CURRENT TOPICS IN MEDICINAL CHEMISTRY | 2009年 / 9卷 / 09期

基金：

巴西圣保罗研究基金会;

关键词：

Structure-based drug design; medicinal chemistry; virtual screening; QSAR; pharmacophores; STRUCTURE-BASED OPTIMIZATION; STRUCTURE-BASED DISCOVERY; PROTEIN-LIGAND COMPLEXES; MOLECULAR-FIELD ANALYSIS; HUMAN CARBONIC-ANHYDRASE; FRAGMENT-BASED QSAR; LEAD OPTIMIZATION; FLEXIBLE DOCKING; GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; PHARMACOPHORE MODEL;

D O I：

10.2174/156802609789207127

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads, as well as to accelerate the development of high quality drug candidates. Structure-based drug design (SBDD) methods are becoming increasingly powerful, versatile and more widely used. This review summarizes current developments in structure-based virtual screening and receptor-based pharmacophores, highlighting achievements as well as challenges, along with the value of structure-based lead optimization, with emphasis on recent examples of successful applications for the identification of novel active compounds.

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收藏

页码：771 / 790

页数：20

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