基于网络药理学探讨白芷抗惊厥作用的潜在有效成分及作用机制

Study on the potential active ingredients and mechanism of anti-convulsion effect of Angelica dahurica based on network pharmacology

目的探讨白芷抗惊厥作用的潜在有效成分及作用机制。方法利用TCMSP数据库筛选白芷有效成分,并收集其对应作用靶点。通过疾病基因综合数据库(GeneCards、OMIM、TTD)检索与convulsion相关靶点;使用R×643.7.2软件绘制韦恩图,筛选白芷有效成分与convulsion交集靶点。采用Cytoscape 3.7.2软件构建“药物-成分-疾病-靶点”网络;使用STRING数据库进行蛋白质相互作用(PPI)网络构建与分析,通过Bioconductor数据库进行KEGG功能富集分析。结果筛选出白芷有效成分19个,有效成分与疾病convulsion交集靶点24个。“药物-成分-疾病-靶点”网络中,β-谷甾醇、豆甾醇、别欧前胡素、珊瑚菜素、欧前胡素和异珊瑚菜素等为该网络主要有效成分。PPI网络中ADRA1B、CASP3、CHRM1、ADRB2、AR和CHRM2等为该网络中核心靶点。KEGG富集分析表明白芷可能通过Neuroactive ligand-receptor interaction、Cocaine addiction和Cholinergic synapse等信号通路发挥抗惊厥作用。结论白芷抗惊厥潜在有效成分主要包括β-谷甾醇、豆甾醇、别欧前胡素、珊瑚菜素、欧前胡素、异珊瑚菜素等,其作用机制可能与参与调控Neuroactive ligand-receptor interaction、Cocaine addiction和Cholinergic synaps等信号通路相关,具有多成分、多靶点、多系统的特点。

Objective To investigate the potential active ingredients and mechanism of anti-convulsion effect of Angelica dahurica.Methods The effective components of Angelica dahurica were retrieved from the TCMSP database,and corresponding targets were collected.The targets related to convulsion were retrieved from the disease gene database(GeneCards,OMIM,TTD);R×643.7.2 software was used to draw the Wayne diagram,and the intersecting targets of effective components of Angelica dahurica and convulsion was screened.The"drug-component-disease-target"network was constructed by the software of Cytoscape 3.7.2;the protein-protein interaction(PPI)network was constructed and analyzed by the STRING database.KEGG function enrichment analysis was conducted by Biocoductor database.Results A total of 19 effective components of Angelica dahurica were screened out,and 24 targets of effective components and convulsion intersection were selected.In the"drug-component-disease-target"network,β-sitosterol,stigmasterol,prangenidin,phellopterin,ammidin,cnidilin and so on were the most important effective components.In PPI network,ADRA1B,CASP3,CHRM1,ADRB2,AR and CHRM2 were the core targets.KEGG enrichment analysis showed that Angelica dahurica might play an anti-convulsion role through the signal pathway of Neuroactive ligand-receptor interaction,Cocaine addiction,Cholinergic synapse and so on.Conclusion The potential effective components of Angelica dahurica for treatment of convulsion mainly includeβ-sitosterol,stigmasterol,prangenidin,phellopterin,ammidin and cnidilin,etc.The mechanism may be related to the regulation of Neuroactive ligand-receptor interaction,Cocaine addiction and Cholinergic synaps,which has the characteristics of multi-component,multi-target and multi-system.