基于网络药理学的马齿苋治疗动脉粥样硬化作用机制研究

Study on Mechanism of Portulacae Herba in Treatment of Atherosclerosis Based on Network Pharmacology

摘要: 目的：基于网络药理学方法探究马齿苋治疗动脉粥样硬化的作用机制。方法：通过TCMSP (Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform)数据库获取马齿苋的活性成分及作用靶点，根据ADME筛选其主要活性成分，通过String平台进行分析并利用Cytoscape3.7.2软件构建马齿苋主要活性成分与作用靶点的网络；收集Disgenet、OMIM、Drugbank数据库中动脉粥样硬化的靶点，通过String平台进行马齿苋与动脉粥样硬化共同靶点相互作用分析并利用Cytoscape3.7.2软件构建其PPI网络；采用Metascape平台进行“药物–成分–靶点”的基因功能与通路分析，通过CB-DOCK进行分子对接验证。结果：马齿苋的主要活性成分为槲皮素、山柰酚、木犀草素等10个，对应212个作用靶点。动脉粥样硬化有关的靶点1081个。马齿苋成分–动脉粥样硬化共同靶点有ALB、IL-6、TNF等108个，主要通路有流体剪切力与动脉粥样硬化途径、癌症的途径、TNF信号通路等。槲皮素、山柰酚、木犀草素分别与ALB、IL-6的对接得分均< −5 kcal/mol，说明它们之间的分子对接能力均较好。结论：马齿苋通过多成分、多靶点、多通路参与动脉粥样硬化的调节。

Abstract: Objective: To analyze the mechanism of Portulacae Herba in the treatment of atherosclerosis based on network pharmacological method. Methods: The active components and action targets of Portulacae Herba were obtained from TCMSP (Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform) Database, and the main active components of TCM were screened according to ADME. The String platform was used for analysis, and Cytoscape3.7.2 software was used to construct the network of main active components and action targets of purslane. The main atherosclerosis targets were collected from Disgenet, OMIM and DRUGBank databases. Protein interaction analysis was performed on the String platform, and a PPI network of common targets of Portulacae Herba and atherosclerosis was constructed using Cytoscape3.7.2 software. Metascape platform was used to analyze the gene function and pathway of “drug-component-target”, and finally CB-dock was used for molecular docking verification. Results: The main active components of Portulacae Herba in the treatment of atherosclerosis were 10, including quercetin, kaempferol and luteolin, corresponding to 212 targets. There were 1081 targets associated with atherosclerosis. Portulacae Herba ingredients - common targets of atherosclerosis has propagated, IL-6, TNF, such as 108. The main pathways have fluid shear stress and atherosclerosis, cancer pathway, TNF signaling pathway and so on. The docking scores of quercetin, kaempferol and luteolin with ALB and IL-6 were all < −5 kcal/mol, indicating that the molecular docking ability between them was good. Conclusion: Portulacae Herba is involved in the regulation of atherosclerosis through multi-component, multi-target and multi-pathway.