计算机辅助药物设计在病毒酶抑制剂开发中的应用

Application of Computer-Aided Drug Design in the Development of Virus Enzyme Inhibitors

计算机辅助药物设计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。本文概述了CADD的设计方法,并例举了CADD在HIV-1整合酶抑制剂和感冒病毒神经氨酸酶抑制剂研发中的应用,阐述了CADD在酶抑制剂研究中应用前景。

As a brand new method/technique for drug discovery, computer-aided drug design （CADD） had been accepted recently by research institutions and pharmaceutical companies. In this article, the important strategies of CADD are summarized; and the applications of CADD in the development of HIV-1＂ integrase inhibitors and influenza virus neuraminidase inhibitors are particularly introduced. The perspective of CADD application in the development of enzyme inhibitors is also discussed in the review.