目的 基于网络药理学与分子对接技术探讨川蛭通络胶囊干预微循环障碍的作用机制。方法 通过TCMSP数据库及文献检索收集川蛭通络胶囊化学成分信息；在PubChem、SwissTargetPrediction、GeneCards等数据库收集化学成分作用靶点及微循环障碍靶点；利用DAVID数据库对共有靶点进行基因本体（gene ontology，GO）功能及京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）通路富集分析；使用Cytoscape软件构建相关网络图，筛选主要成分、靶点进行分子对接研究。结果 共整理得到川蛭通络胶囊的150个成分及其对应的480个靶点，微循环障碍靶点154个，二者共同靶点32个，富集分析发现共同靶点主要参与血压调节、缺氧应答等生物过程，以及催乳激素信号通路、Janus激酶（Janus kinase，JAK）-信号传导和转录激活因子（signal transducer and activator of transcription，STAT）信号通路、缺氧诱导因子-1（hypoxia inducible factor-1，HIF-1）信号通路、脂肪细胞因子信号通路、肾素-血管紧张素系统等信号通路。分子对接结果显示，亚麻油酸乙酯、木犀草素、丹酚酸J等成分能与前列腺素内过氧化物合酶2（prostaglandin-endoperoxide synthase 2，PTGS2）、血管紧张素转换酶（angiotensin converting enzyme，ACE）、凝血因子2（coagulation factor 2，F2）等靶点良好对接。结论 川蛭通络胶囊可能是通过亚麻油酸乙酯、木犀草素、丹酚酸J等关键成分作用于PTGS2、基质金属蛋白酶9（matrix metalloproteinase 9，MMP9）、STAT3、ACE、血红素加氧酶1（heme oxygenase 1，HMOX1）、F2等靶点改善氧化应激、减轻炎性反应，从而干预微循环障碍。

Objective To explore the mechanism of Chuanzhi Tongluo Capsules (川蛭通络胶囊) on microcirculation dysfunction through network pharmacology and molecular docking. Methods The compounds information of Chuanzhi Tongluo Capsules was summarized by TCMSP database and literature retrieval. The targets of compounds and microcirculation dysfunction were collected by PubChem, SwissTargetPrediction, GeneCards databases. Gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway analysis of common targets were performed using DAVID database. Cytoscape was used to construct the relevant network diagram, and the major components and targets were screened for molecular docking. Results A total of 150 compounds of Chuanzhi Tongluo Capsules and its corresponding 480 targets, 154 microcirculation dysfunction targets, and 32 common targets were obtained. Enrichment analysis showed that the common targets were mainly involved in biological processes such as regulation of blood pressure and response to hypoxia, as well as prolactin signaling pathway, Janus kinase (JAK)-signal transducer and activator of transcription (STAT) signaling pathway, hypoxia inducible factor-1 (HIF-1) signaling pathway, adipocytokine signaling pathway, and renin-angiotensin system. Molecular docking results showed that mandenol, luteolin, salvianolic acid J and other components could dock well with prostaglandin-endoperoxide synthase 2 (PTGS2), angiotensin converting enzyme (ACE) and coagulation factor 2 (F2). Conclusion Chuanzhi Tongluo Capsules might intervene in microcirculation dysfunction by acting on PTGS2, matrix metalloproteinase 9 (MMP9), STAT3, ACE, heme oxygenase 1 (HMOX1), F2 through key components such as mandenol, luteolin and salvianolic acid J.

R285.5

广东省中医药防治难治性慢病重点实验室项目（2018B030322012）