基于网络药理学的脑心通胶囊有效成分群与网络靶标相关性研究

项目名称： 基于网络药理学的脑心通胶囊有效成分群与网络靶标相关性研究

项目编号： No.81203005

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 医学八处

项目作者： 唐仕欢

作者单位： 中国中医科学院中药研究所

项目金额： 23万元

中文摘要： 中药复方所产生的生物效应，是所含的多个活性成分共同作用的结果，揭示中药复方的有效成分群及其作用机制是中药现代研究的关键问题。本项目以脑心通胶囊为研究范例，运用网络药理学的方法和手段，构建冠心病发病相关的蛋白网络及其治疗的药物分子作用靶标网络，同时借助计算机辅助的药物虚拟筛选技术对脑心通胶囊所含的已知化学成分进行ADME和作用靶标的虚拟筛选，在抽提共同作用靶标的基础上，通过动物实验进行验证，从而获得脑心通胶囊治疗冠心病的有效成分群及其网络靶标，并分析两者的关联性。 运用网络药理学开展中药复方的有效成分群及网络靶标关联性研究，在单一成分构效关系的基础上，更加重视多个成分的组合及组效关系，凸显中药复方的特点，不仅为中药复方的质量控制和二次开发奠定基础，还将对中药网络药理学的方法学建立提供良好的思路和启示，对中药复方的现代研究具有重要的指导意义和应用价值。

中文关键词： 网络药理学；脑心通胶囊；有效成分群；网络靶标；虚拟筛选

英文摘要： The biological effects of complex TCM formula are due to the combination effects of multiple active ingredients. The key issues of TCM modernization are effective components of the complex TCM formula and their mechanisms. The emergence of the network pharmacology brings a good moment to illustrate those ingredients and functional targets. NaoXinTong capsules is selected as research object in this project. Protein network related to coronary artery disease and its treatment of drug molecules' functional target network are built by the methods of network pharmacology and computer aided drug virtual screening technology, which used to virtually screening the targets and ADME the known chemical constituents. Based on this study, we do animal experiments to verify and obtain the network targets and the effective components of NaoXinTong capsules which are applied to cure coronary heart disease,as well as analyze their relevance. We develop the relevance study of both the complex TCM formula's active ingredients and network targets. Paying more attention to the combination of multiple ingredients and group activity relationship on the basis of single component structure-activity relationship. This study is not only benefit for herbal quality control and second development, but offering good ideas and inspiration to e

英文关键词： Network pharmacology；NaoXinTong capsule；The effective components group；Network targets；Virtual screening