基于网络药理学探讨丹红注射液成分-抗血栓靶点的相互作用  

Interactions between Danhong Injection components and anti-thrombotic targets based on network pharmacology

作　　者：李泮霖[1] 刘宏[1] 廖弈秋[1] 李沛波[1] 姚宏亮[1] 苏薇薇[1] LI Panlin;LIU Hong;LIAO Yiqiu;LI Peibo;YAO Hongliang;SU Weiwei(Guangdong Engineering and Technology Research Center for Quality and Efficacy Re-Evaluationof Post-Marketed TCM∥Guangdong Provincial Key Laboratory of Plant Resources∥School of Life Sciences,Sun Yat-sen University,Guangzhou 510275,China)

机构地区：[1]中山大学生命科学学院∥广东省中药上市后质量与药效再评价工程技术研究中心∥广东省热带亚热带植物资源重点实验室,广东广州510275

出　　处：《中山大学学报（自然科学版）》2018年第4期121-127,共7页Acta Scientiarum Naturalium Universitatis Sunyatseni

基　　金：中山大学成果转化项目(33000-18825004)

摘　　要：采用Surflex-Dock分子对接方法,探讨丹红注射液化学成分与抗血栓靶点间的相互作用,利用Cytoscape软件构建丹红注射液活性成分-抗血栓靶点网络,并通过Clue GO插件对靶点涉及的信号通路进行分析。丹红注射液中有60个成分与106个抗血栓作用靶点间存在2 028条关联。其中,丹红注射液成分与F2、F13A、SERPINC1、PGH2、ACE、REN、PLAU和PROC等靶点密切相关,这些靶点涉及凝血、纤溶、内皮功能、血管收缩舒张等多方面的信号通路;与抗血栓靶点关联较多的成分为丹酚酸类。这为进一步阐明丹红注射液多成分、多靶点分子作用机制提供了依据。The Surflex-Dock method was adopted to predict the compound-protein target association between Danhong Injection （DHI） components and anti-thrombotic activity related targets. The Cytoscape software was used to construct the DHI compound-target network, and the ClueGO plugin was used to analyze the signaling pathway of the targets. Through virtual screening, 2 028 interactions between 60 DHI components and 106 anti-thrombotic targets were obtained, and the compound-target network of DHI was established. The targets closely associated DHI components including F2, F13A, SERPINC1, PGH2, ACE, REN, PLAU and PROC,which were involved in the blood coagulation, fibrinolysis, endothelial function, vasoconstriction/dilation systems. The salvianolic acids showed more associations with anti- thrombotic targets indicating that they might be the main anti-thrombotic activity components in DHI. This study provides a basis for the further study of the multi-component and multi-target molecular mechanism of DHI.

关 键 词：丹红注射液 分子对接 抗血栓 成分 靶点 

分 类 号：R285[医药卫生—中药学]