计算机辅助药物设计方法及其在新药研发中的应用  

A Brief Introduction of Computer-Aided Drug Design and its Application in the Development of Drugs

作　　者：谢治深 宋军营[1] 张振强[1] 袁永[1] 闫敏[1] 杨念[1] 李中华 马金莲 王潘 曾华辉[1] 张岚[1] 田启康 陈坤 XIE Zhishen;SONG Junying;ZHANG Zhenqiang;YUAN Yong;YAN Min;YANG Nian;LI Zhonghua;MA Jinlian;WANG Pan;ZENG Huahui;ZHANG Lan;TIAN Qikang;CHEN Kun(Henan University of Chinese Medicine, Research and Experiment Center, Zhengzhou, 450046, China)

机构地区：[1]河南中医药大学科研实验中心与实验动物中心

出　　处：《河南大学学报（医学版）》2019年第2期148-152,共5页Journal of Henan University:Medical Science

基　　金：国家自然基金-河南联合基金(U1604185,U1504829);河南省中医药科学研究专项课题(2018ZY1009);河南省高等学校重点研究项目(19A360021)

摘　　要：传统的药物开发方式耗费高、周期长。计算机辅助药物设计技术可以大大缩短新药的开发周期,降低开发成本,是我国医药产业缩小与世界先进水平之间的差距的重要手段。我们阐述了常用计算机合理药物设计方法及其在新药研发中的应用,为加快新药研发速度提供理论指导。The drug development has high economic and time costs.Computer aided drug design technology (CADD) can greatly shorten the development cycle of new drugs and reduce the cost.It is an important means for China's pharmaceutical industry to catch up with the world's advanced level.This paper describes the methods of rational drug design by computer and its application in novel drug development,which provides a powerful theoretical guidance for speeding up the new drug development.

关 键 词：计算机辅助药物设计 新药研发 合理药物设计 

分 类 号：R2-031[医药卫生—中西医结合]