当归挥发油治疗高血压药理机制的网络分析

Network analysis of the pharmacological mechanism of Angelica sinensis volatile oil in the treatment of hypertension

本文利用网络药理学对当归挥发油潜在的活性成分和作用靶点进行预测,探讨其多组分、多靶点、多途径治疗高血压的可能作用机制。通过GC-MS测定出当归挥发油化合物,利用SwissTargetPrediction获取相关成分靶点;OMIM及DisGENET数据库筛选高血压相关疾病靶点;利用STRING在线平台构建当归挥发油和高血压的交互靶点;利用Cytoscape软件构建"化学成分—靶点—疾病"交互网络图。通过R语言平台clusterprofiler程序包进行GO功能富集分析和KEGG富集分析;最后运用Discovery Studio 4.5 Client软件将当归挥发油核心成分与关键靶蛋白进行分子对接验证。筛选出21个当归挥发油成分,作用于115个高血压相关靶点,涉及了神经活性配体-受体相互作用、cGMP-PKG信号通路和钙信号通路等,参与了血管管径的调节、血压的调节和血管内径负调控等过程,包括质膜筏、膜筏、膜微域和膜区等多个部分。本研究初步揭示了当归挥发油治疗高血压的潜在活性成分及其可能的作用机制。为进一步实验研究其物质基础和作用机理提供了理论依据。

In this paper,the potential active components and targets of Angelica sinensis volatile oil were predicted by network pharmacology,and the possible mechanism of its multi-component,multi-target and multi-channel treatment of hypertension was explored.The volatile oil compounds of A.sinensis were determined by GC-MS,and the targets of related components were obtained by SwissTargetPrediction;the targets of hypertension related diseases were screened by OMIM and DisGENET database;the interaction targets of A.sinensis volatile oil and hypertension were constructed by PPI;the interaction network diagram of"chemical components,targets and diseases"was constructed by Cytoscape software.Through the evaluation of network topological characteristics,the key targets of A.sinensis essential oil in the treatment of hypertension were selected;the clusterprofiler package in R language programming of Rstudio software was used for GO function enrichment analysis and KEGG enrichment analysis.Finally,the core components of A.sinensis essential oil and key targets were connected by the Discovery Studio 4.5 client software.Twenty-one essential oil components of A.sinensis were screened and acted on 115 hypertension related targets,involving the Interaction of neuroactive ligands and receptors,cGMP-PKG signaling pathway and Calcium signaling pathway.It is involved in the regulation of blood vessel diameter,blood pressure and negative regulation of blood vessel diameter.It includes plasma membrane raft,membrane raft,membrane microdomain and membrane area.This study preliminarily revealed the potential active components of A.sinensis volatile oil in the treatment of hypertension and its possible mechanism.It provides a theoretical basis for further experimental study of its material basis and mechanism of action.