基于网络药理学和分子对接技术的淫羊藿和杜仲雄花药对抗疲劳作用机制研究

THE MECHANISM OF ANTI-FATIGUE EFFECT OF EPIMEDIUM BREVICORNU AND EUCOMMIA ULMOIDES FLOWER ANTHERS BASED ON NETWORK PHARMACOLOGY AND MOLECULAR DOCKING TECHNOLOBY

通过网络药理学与分子对接探究淫羊藿(Epimedium brevicornu Maxim.)和杜仲雄花(Eucommia ulmoides maleflower)药发挥抗疲劳作用的潜在活性成分及作用机制。利用TCMSP等数据库搜集淫羊藿和杜仲雄花药对的活性成分和靶点,在GeneCards、OMIM等数据库下载抗疲劳相关靶点;利用维恩图获得淫羊藿和杜仲雄花药对抗疲劳靶点后,导入Cytoscape软件构建蛋白质-蛋白质相互作用(PPI)网络。然后,对靶基因进行GO、KEGG富集分析。并采用AutoDockVina软件对活性成分与靶点进行分子对接。“活性成分-靶点-通路”网络显示,淫羊藿和杜仲雄花药对中37个主要活性成分能够作用于79个抗疲劳靶点。KEGG分析富集包括PI3K-Akt信号通路、MAPK信号通路等。分子对接结果显示,Epimedin C等关键成分与INS、ALB等关键靶点具有良好的结合活性。淫羊藿和杜仲雄花药对能够通过多成分、多靶点、多通路发挥抗疲劳作用。

To explore the potential active ingredients and the mechanism of Epimedium brevicornu and Eucommia ulmoides flower anthers in exerting anti-fatigue effects through network pharmacology and molecular docking.Active ingredients and targets of E.brevicornu and E.ulmoides flower anthers(EEF)were collected from databases such as TCMSP,and fatigue-related targets were downloaded from databases such as GeneCards and OMIM.The anti-fatigue targets of EEF were obtained using a Venn diagram,and a protein-protein interaction(PPI)network was constructed using Cytoscape software.Then,GO and KEGG enrichment analysis were performed on the target genes.Molecular docking was conducted using AutoDock Vina software to study the interaction between the active ingredients and the targets.The“active ingredient-target-pathway”network showed that 37 major active ingredients in EEF could act on 79 anti-fatigue targets.Enrichment analysis of KEGG pathways included the PI3K-Akt signaling pathway,MAPK signaling pathway,and others.Molecular docking results showed that the key components such as epimedin C had good binding activity with the key targets such as INS and ALB.EEF exerts anti-fatigue effects through multiple components,targets,and pathways.