中医临床研究2025，Vol.17Issue(4)：1-8,8.DOI:10.3969/j.issn.1674-7860.2025.04.001
基于网络药理学与分子对接探讨抗痫煎剂治疗癫痫的分子机制
Investigating the molecular mechanism of treating epilepsy with anti-epileptic decoction through network pharmacology and molecular docking
摘要
Abstract
Objective:The aim of this study is to investigate the mechanism of action of anti-epileptic decoction for treating epilepsy through network pharmacology and molecular docking studies.Methods:Core drug components and predicted targets of action of anti-epileptic decoction were obtained from TCMSP,HERB and other databases and standardized for gene ID.Epilepsy-related disease target genes were obtained from GeneCards,OMIM,and other databases,and the intersection was taken as the core target for the treatment of epilepsy with anti-epileptic decoction.The PPI network was plotted by STRING database and Cytoscape.Enrichment analysis using KEGG and GO was conducted in R language to identify effective active ingredients of anti-epileptic decoction.The core target molecule docking was made through AutoDock and PyMol software.Results:The analysis yielded a total of 53 active ingredients that were found to be effective.Furthermore,with 266 potential drug targets,and 2 936 epilepsy disease targets,and 91 drug-disease intersection targets were identified through Venny analysis.The PPI network diagram yielded more connectivity with core targets such as AKT1,HIF-1A,IL-6,and MMP9.GO and KEGG enrichment analyses revealed associations between cellular components such as synaptic membranes,postsynaptic membranes,neuronal cell bodies,ion channels,and signaling pathways such as apoptotic and MAPK signaling pathways,as well as IL-17 and other pathways.Molecular docking showed that AKT1,HIF-1A,IL-6,MMP9,CASP3,and TP53 were tightly bound to their corresponding core compounds.Conclusion:Network pharmacology predicts that anti-epileptic decoction may exert their anti-epileptic effects through a combination of attenuating oxidative stress and protecting neurons,modulating apoptosis and affecting ion channels.关键词
抗痫煎剂/癫痫/网络药理学/分子对接Key words
Anti-epileptic decoction/Epilepsy/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
齐思静,蒋媛静,张永全,杨荣萍,张菀芬..基于网络药理学与分子对接探讨抗痫煎剂治疗癫痫的分子机制[J].中医临床研究,2025,17(4):1-8,8.基金项目
广西壮族自治区中医药管理局中医药适宜技术开发与推广项目(GZSY21-39). （GZSY21-39）
