摘要
采用分子对接和计算机网络药理学方法,快速筛选清热中药中治疗冠心病的活性成分,并构建清热中药治疗冠心病的药物-靶标-疾病网络,对清热中药治疗冠心病的有效成分和作用机制从系统水平进行研究。结果表明计算机方法可以体现5类清热中药的差异,并揭示中药中化学成分与相关靶标相互作用的分子机制,而网络的构建和分析可以将化学成分的聚类、差异,以及有效成分与相关靶标及疾病的复杂分子作用机制可视化。
The mechanisms of clearing-heat herbs were studied by computer methods in molecular level,including docking and technology of network.It was found that computer methods could distinguish the structure diversity of compounds from TCM,and reveal the molecular mechanism of the interaction among the effective compounds,relating targets and disease.In the same time,the construction and analysis could intuitionisticly trace out the cluster and diversity of compounds,and the complex molecular mechanism of the clearing-heat herbs.
出处
《中华中医药杂志》
CAS
CSCD
北大核心
2011年第5期1004-1008,共5页
China Journal of Traditional Chinese Medicine and Pharmacy
基金
广州中医药大学创新基金(No.09CX065)~~
关键词
清热中药
分子机制
网络药理学
Clearing-heat herbs
Molecular mechanism
Network pharmacology
