皮肤性病诊疗学杂志2024，Vol.31Issue(11)：757-766,10.DOI:10.3969/j.issn.1674-8468.2024.11.006
基于网络药理学和分子对接探讨补阳还五汤治疗周围神经病理性疼痛的作用机制
Exploration of the underlying mechanisms whereby buyang huanwu decoction improves pe-ripheral neuropathic pain through network pharmacology and molecular docking
摘要
Abstract
Objective To explore the mechanisms whereby Buyang Huanwu Decoction(BYH-WT)imoroves peripheral neuropathic pain(PNP)through network pharmacology and molecular docking.Methods The active ingredients and targets of BYHWT were screened through the ETCM and SwissTargetPrediction databases.Peripheral neuropathic pain-related targets were screened through the GeneCards,OMIM,TTD,and DisGeNET databases.The venn diagram of intersection targets was plotted using the ggvenn package in R.The"formulated drugs-active ingre-dients-disease targets"network was constructed using Cytoscape software.The protein-protein in-teraction(PPI)network was established using the STRING database.Gene ontology(GO)en-richment analysis and kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were performed using the clusterProfiler package in R.Molecular docking of core active ingredients and core targets was conducted using the AutoDock software.Results A total of 257 active ingredients and 844 affected targets were screened,along with 3 143 peripheral neuropathic pain-related targets and 478 intersection targets.The PPI analysis revealed core targets,including protein kinase Src(SRC),signal transducer and activator of transcription 3(STAT3),protein ki-nase B(AKT1),and epidermal growth factor receptor(EGFR).The GO enrichment analysis identified 3 659 GO terms,encompassing 3 206 biological process,143 cellular component and 310 molecular functions.KEGG enrichment analysis identified 303 signaling pathways,including EGFR tyrosine kinase inhibitor resistance,the AGE-RAGE signaling pathway in diabetic compli-cations,the HIF-1 signaling pathway,and the PI3K-Akt signaling pathway.Conclusions Using network pharmacology and molecular docking techniques,the present study reveals that BYHWT ameliorates peripheral neuropathic pain by multiple ingredients,regulating multiple targets and signaling pathways.关键词
周围神经病理性疼痛/带状疱疹后神经痛/补阳还五汤/网络药理学/分子对接Key words
peripheral neuropathic pain/postherpetic neuralgia/Buyang Huanwu Decoc-tion/network pharmacology/molecular docking引用本文复制引用
陈锴壕,王冬梅..基于网络药理学和分子对接探讨补阳还五汤治疗周围神经病理性疼痛的作用机制[J].皮肤性病诊疗学杂志,2024,31(11):757-766,10.基金项目
国家中西医协同"旗舰"科室建设项目 （）
南方医科大学皮肤病医院带状疱疹专病(特色)建设项目 （特色）
