基于网络药理学探讨桑枝降压的作用机制

Mechanism of Mulberry Twig for treatment of Hypertension based on Network Pharmacology

目的:采用网络药理学探讨桑枝治疗高血压的作用机制。方法:通过TCMSP、Batman-TCM、化学专业数据库和CNKI收集桑枝的化学成分,并通过Swiss Target Prediction数据库收集成分相关靶点;通过GeneCards、OMIM等数据库得到与高血压有关的疾病靶点。取成分靶点与疾病靶点的交集,得到交集靶点;利用String数据库和Cytoscape3.7.1软件,筛选并构建交集靶点相互作用网络;并利用String数据库对交集靶点进行PPI分析、GO分析和KEGG通路分析,并通过Cytoscape软件对结果进行可视化;最后对活性成分与关键靶点进行分子对接验证。结果:通过筛选得到桑枝活性成分18个,潜在作用靶点336个,其中与高血压有关的交集靶点87个;共获得545条GO分析条目和160条KEGG信号通路,分别主要涉及血压调节、调节血管大小等生物过程以及cGMP-PKG信号通路、Rap1信号通路、PI3K/Akt信号通路、Ras信号通路等信号通路;分子对接结果显示18个活性成分与14个关键靶点相结合,其中16个活性成分与其相应关键靶点具有较好结合活性。结论:桑枝可能通过作用于与舒张血管、细胞凋亡等相关的靶点和通路,发挥治疗高血压的作用。

Objective:To explore the mechanism of Mulberry Twig in the treatment of hypertension by network pharmacology.Methods:Collect the chemical components of Mulberry Twig through TCMSP,Batman-TCM,chemical database and CNKI,and collect componentrelated targets through the Swiss Target Prediction database.Use GeneCards,OMIM and other databases to obtain disease targets related to hypertension.Take the intersection of component targets and disease targets to obtain the intersection targets.Use the String database and Cytoscape 3.7.1 software to screen and construct the intersection target interaction network.And use the String database to perform PPI analysis,GO analysis and analysis on the intersection targets KEGG pathway was analyzed,and the results were visualized by Cytoscape software.Finally,the molecular docking verification of the compound and the key target was performed.Results:Through screening,18 active ingredients of Mulberry Twig and 336 potential targets were obtained,of which 87 were the intersection targets related to hypertension.A total of 545 GO analysis items and 160 KEGG signal pathways were obtained,which were mainly related to blood pressure regulation.Regulation of biological processes such as blood vessel size,as well as signal pathways such as cancer pathways,cGMP-PKG signaling pathway,Rap1 signaling pathway,PI3K/Akt signaling pathway,Ras signaling pathway.The results of molecular docking showed that 18 active ingredients combined with 14 key targets,of which 16 active ingredients had good binding activity with their corresponding key targets.Conclusion:Mulberry Twig may play a role in treating hypertension by acting on the targets and pathways related to vasodilation and cell apoptosis.