生物信息学Issue(4)：251-256,6.DOI:10.3969/j.issn.1672-5565.2015.04.08
反向虚拟筛选平台及应用
Reverse virtual screening platform and its application
摘要
Abstract
Computer based⁃target identification provides a unique tool for finding new application of old drugs and for the research on side effects of drug toxicity. Using molecular docking software AutoDock Vina and an in⁃house disease target database, we developed a Reverse Virtual Screening platform to identify protein targets for small molecules.The platform has been tested with pyridostigmine, a drug targeting acetylcholinesterase. This Reverse Virtual Screening successfully identified acetychlinesterase as pyridostigmine’ s target,showing its applicability and accuracy in computer assisted drug design.关键词
老药新用/毒副作用/反向虚拟筛选/AutoDock VinaKey words
New application of old drug/Side effects/Reverse virtual screening/AutoDock vina分类
医药卫生引用本文复制引用
张媛,刘雨桐,李达,宋新蕊,周雪松,赵勇..反向虚拟筛选平台及应用[J].生物信息学,2015,(4):251-256,6.基金项目
北京市东城区科技计划（2015－2－006）支持；北京市科学技术研究院创新团队计划（IG201305C2）支持。 （）
