虚拟筛选与新药发现

Virtual screening and new drug discovery

虚拟筛选是创新药物研究的新方法和新技术,近年来引起了研究机构和制药公司的高度重视,并且已经成为一种与高通量筛选互补的实用化工具,加入到了创新药物研究的工作流程(pipeline)中。本文介绍国际上虚拟筛选及其在创新药物发现中应用的研究进展,特别介绍了我国这方面研究的状况。

As a new method or technology for drug discovery, virtual screening has been appreciated by research institutions and big pharmaceutical companies. Moreover, virtual screening has been involved into the pipeline of drug discovery and development as a practical tool complemented with high throughput empirical screening. In this review, we will introduce recent advances in virtual screening and its function in new drug discovery. In particular, we will discuss the research situation of virtual screening in our country.