Old friends in new guise: repositioning of known drugs with structural bioinformatics

被引：101
作者：
Haupt, V. Joachim [1 ]
Schroeder, Michael [1 ]
机构：
[1] Tech Univ Dresden, BIOTEC, Bioinformat Grp, Dresden, Germany
来源：
BRIEFINGS IN BIOINFORMATICS | 2011年 / 12卷 / 04期
关键词：
drug repositioning; ligand binding sites; binding site similarity; binding site comparison; drug promiscuity; LIGAND-BINDING-SITES; ANTIFUNGAL DRUG; SIMILARITY; DISCOVERY; RESOURCE; INHIBITORS; ALGORITHM; DISEASES; DATABASE; BIOLOGY;
D O I：
10.1093/bib/bbr011
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
Developing a drug de novo is a laborious and costly endeavor. Thus, the repositioning of already approved drugs for the treatment of new diseases is promising and valuable. One computational approach to repositioning exploits the structural similarity of binding sites of known and new targets. Here, we review computational methods to represent and align binding sites. We review available tools, present success stories and discuss limits of the approach.
引用
收藏
页码：312 / 326
页数：15
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