摘要
简要概述全新药物设计方法的一般原理、步骤及应用实例 ,重点评述全新药物设计方法中分子生成策略的进展。全新药物设计方法是一种基于受体结构三维信息 ,采用计算机辅助药物设计技术 ,设计出能与受体特异性结合的先导化合物。
De novo drug design is a structure based durg design method, which employs computational methods to generate and optimize leads, based on three dimensional receptor structural information. Basic theory, procedure and applications of de novo drug design are introduced, and the strategies for leads generation are emphasized at length.
出处
《药学进展》
CAS
2003年第6期327-332,共6页
Progress in Pharmaceutical Sciences
基金
国家 8 6 3计划 (NO .2 0 0 2AA2 330 91)