摘要
药效团是指一个包含药物生物活性所必要的所有特性的结构,亦是指药物分子与受体结合或作用时起重要作用的原子或基团组合。药效团的三维结构数据库搜索方法已成为新药研究开发的重要辅助手段。本文较系统地介绍了中药与天然产物研究中药效团的构建与应用,并对基于药效团三维结构的三维数据库搜索方法及其应用进行了综述。
The so - called pharmacodynamic aggregation is a composition consisting of all the main properties of the bioactivity of medicines and also a combination of atoms or atom groups which would play significant role in the integration with or the action of medicinal elements on their receptors. The method for retrieving the 3 - dimensional databank of pharmacodynamic aggregations has become a major auxiliary means in the development of new medicines. In this article the authors present the construction and application of pharmacodynamic aggregations in the study of Chinese medicines and natural products systematically and summarize the method for retrieving 3 - dimensional databank based on pharmacodynamic aggregations, and its application.
出处
《世界科学技术-中医药现代化》
2004年第4期33-38,共6页
Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology
基金
国家973项目(G1999054400)
关键词
中药
天然产物
药效团
数据库搜索
三维结构
pharmaeodynamic aggregation, 3 - dimensional databank, Chinese medicine, medicine made of natural products
