In silico repositioning of approved drugs for rare and neglected diseases

被引：203

作者：

Ekins, Sean ^{[1
,2
,3
,4
]}

Williams, Antony J. ^{[5
]}

Krasowski, Matthew D. ^{[6
]}

Freundlich, Joel S. ^{[7
]}

机构：

[1] Collaborat Chem, Jenkintown, PA 19046 USA

[2] Collaborat Drug Discovery, Burlingame, CA 94010 USA

[3] Univ Maryland, Dept Pharmaceut Sci, College Pk, MD 21201 USA

[4] Univ Med & Dent New Jersey, Robert Wood Johnson Med Sch, Dept Pharmacol, Piscataway, NJ 08854 USA

[5] Royal Soc Chem, Wake Forest, NC 27587 USA

[6] Univ Iowa Hosp & Clin, Dept Pathol, Iowa City, IA 52242 USA

[7] Texas A&M Univ, Dept Biochem & Biophys, College Stn, TX 77843 USA

来源：

DRUG DISCOVERY TODAY | 2011年 / 16卷 / 7-8期

基金：

美国国家卫生研究院;

关键词：

RECEPTOR ANTAGONIST APREPITANT; MOLECULAR SIMILARITY; SYSTEMS-ADME/TOX; NETWORK ANALYSIS; DISCOVERY; IDENTIFICATION; PHARMACOLOGY; VITRO; INHIBITORS; CHALLENGES;

D O I：

10.1016/j.drudis.2011.02.016

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

One approach to speed up drug discovery is to examine new uses for existing approved drugs, so-called 'drug repositioning' or 'drug repurposing', which has become increasingly popular in recent years. Analysis of the literature reveals many examples of US Food and Drug Administration-approved drugs that are active against multiple targets (also termed promiscuity) that can also be used to therapeutic advantage for repositioning for other neglected and rare diseases. Using proof-of-principle examples, we suggest here that with current in silico technologies and databases of the structures and biological activities of chemical compounds (drugs) and related data, as well as close integration with in vitro screening data, improved opportunities for drug repurposing will emerge for neglected or rare/orphan diseases.

引用

页码：298 / 310

页数：13

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