基于网络药理学、分子对接探讨淫羊藿治疗斑秃的作用机制  

Action mechanism of Epimedium in the treatment of alopecia areata based on network pharmacology and molecular docking

作　　者：常俊杰 狄伟 CHANG Junjie;DI Wei(Guizhou University of Traditional Chinese Medicine,Guiyang 550025,China;The First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine,Guiyang 550001,China)

机构地区：[1]贵州中医药大学,贵州贵阳550025 [2]贵州中医药大学第一附属医院,贵州贵阳550001

出　　处：《贵州科学》2025年第2期25-31,共7页Guizhou Science

基　　金：贵州中医药大学研究生教育创新计划自然科学项目(YCXZR2021002)。

摘　　要：目的:基于网络药理学、分子对接探讨淫羊藿治疗斑秃的作用机制。方法:通过TCMSP数据库,得到淫羊藿的有效活性成分和靶点,利用GeneCards、OMIM数据库获取与斑秃相关靶点,通过Cytoscape3.9.1软件构建药物-成分-靶点网络图,通过venny2.1.0在线平台获得淫羊藿与斑秃的交集靶点,通过String数据库构建蛋白相互作用(PPI)网络,再利用Cytoscape3.9.1确定淫羊藿治疗斑秃的核心靶点。利用Metascape数据库对药物与疾病相交靶基因进行富集分析,最后将主要成分与核心靶点进行分子对接,对接结果进行可视化处理。结果:研究得到淫羊藿活性成分191个,交集基因共有116个,核心靶点有IL-6、JUN、IL-1β、AKT1、EGFR等。GO富集分析显示相关生物过程涉及转录因子结合、对激素的反应等,KEGG通路分析显示淫羊藿治疗斑秃的主要通路有癌症通路、流体剪切应力与动脉粥样硬化等。结论:淫羊藿治疗斑秃具有多通路、多方向、多靶点、多成分相互作用的特点,为其后期开展相关临床研究奠定基础。In this study we explored the possible action mechanism of Epimedium in the treatment of alopecia areata based on network pharmacology and molecular docking.The effective active ingredients and targets of Epimedium were obtained from TCMSP database,and the targets related to alopecia areata were obtained from GeneCards and OMIM database.The drug-ingredient-target network diagram was constructed by Cytoscape 3.9.1 software,and the intersection targets of Epimedium and alopecia areata were obtained by venny 2.1.0 online platform.The protein-protein interaction(PPI)network was constructed through String database,and the core targets of Epimedium in the treatment of alopecia areata was determined using Cytoscape3.9.1.Enrichment analysis of drug-disease intersecting target genes was carried out using Metascape database.Molecular docking was performed for the main components and the core targets,and the docking results were visualized.The study obtained 191 active ingredients of Epimedium,and 116 intersecting genes.The core targets were IL-6,JUN,IL-1β,AKT1,EGFR,etc.GO enrichment analysis showed that the relevant biological processes involved transcription factor binding,response to hormone,etc.KEGG pathway analysis showed that the main pathways of Epimedium in the treatment of alopecia areata were cancer pathway,fluid shear stress,atherosclerosis,etc.In conclusion,Epimedium treats alopecia areata through multi-pathway,multi-direction,multi-target and multi-component interactions.This study has laid the foundation for future clinical research.

关 键 词：斑秃 淫羊藿 分子对接 网络药理学 作用机制 

分 类 号：R285.5[医药卫生—中药学]