基于网络药理学探讨温胆汤治疗高血压分子机制

Molecular mechanism of Wendan Decoction in treating hypertension based on network pharmacology

目的运用网络药理学探讨温胆汤治疗高血压的分子机制。方法通过TCMSP和中医药整合药理学研究平台(TCMIP)筛选温胆汤的潜在活性成分和作用靶点,通过药物靶标数据库(TTD)、在线人类孟德尔遗传数据库(OMIM)、GeneCards数据库收集高血压疾病靶点,STRING数据库进行蛋白相互作用分析,采用Cytoscape v3.7.1构建网络,再用ClueGO进行GO功能和KEGG通路富集分析,最后以适合的分子和靶点进行分子对接。结果共筛选出温胆汤141个潜在活性成分和108个潜在治疗靶点;通过cytoHubba中MCC算法筛选出排位前20的核心靶点,GO分析包含164条显著性条目,包括生物过程133条、分子功能24条、细胞定位7条。KEGG通路富集筛选出7条枢纽通路,且活性成分与靶点间对接良好。结论温胆汤可通过多途径、多靶点治疗高血压,可为其临床应用提供数据。

Objective To explore the molecular mechanism of Wendan Decoction in the treatment of Hypertension by the network pharmacolog.Methods The potential active components and targets of Wendan Decoction were screened in TCMSP and TCMIP database.The TTD,genecards and OMIM databases were used to collect hypertension targets.Then the protein interaction was analyzed by using String database.The software of Cytoscape v3.7.1 was used to construct the network diagram of Wendan Decoction in the treatment of Hypertension and using the software of ClueGO to analyze GeneOntology and KEGG pathway of the potential targets.Finally,we used molecular docking technology for the appropriate of molecules and targets.Results A total of 141 potential active components and 108 potential therapeutic targets were selected from Wendan Decoction.And 20 of core targets selected by MCC in CytoHubba.The GeneOntology analysis contained 164 GO terms,133 of biological processes,24 of molecular functions,and 7 of cell components.Seven key pathways were selected by enrichment analysis of KEGG pathway.Molecular docking results showed good docking between key components and targets.Conclusion Wendan Decoction can treat hypertension through multiple ways and targets.This study predicts the possible mechanism of Wendan Decoction and provides data for its clinical application.