摘要
Abstract
Objective:To investigate the action mechanism of Zexie(Rhizoma Alismatis)-Zaojiaoci(Spina Gleditsiae)couplet medicines on polycystic kidney disease(PKD)by network pharmacology and molecular docking technology,providing modern pharmacological evidence for the compatibility of Chinese medicines in the treatment of PKD.Methods:The active components and corresponding targets of the Zexie-Zaojiaoci couplet medicines were retrieved from databases such as TCMSP,disease targets of PKD were obtained from GeneCards,and intersection targets of active components and disease were identified.A protein-protein interaction(PPI)network of intersection targets was constructed by STRING database,and the drug active component-target network was established by CytoScape 3.9.0 software.The Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathway enrichment analyses were performed by DAVID database.Molecular docking validation between key active components and core targets was conducted by molecular docking software such as AutoDock Vina.Results:Sixteen active components of Zexie-Zaojiaoci couplet medicines were identified by screening,including quercetin,kaempferol,fisetin,β-sitosterol,stigmasterol,etc.The PPI network analysis revealed that 10 core targets such as IL-6,TNF,and AKT1 formed critical regulatory hubs.The KEGG pathway enrichment analysis demonstrated that targets were primarily enriched in signaling pathways such as MAPK signaling pathway,mTOR signaling pathway,cAMP signaling pathway,and VEGF signaling pathway,which collectively regulated biological functions such as cell proliferation,apoptosis balance,and vesicle formation process.The molecular docking results confirmed strong binding activity between core targets and corresponding effective active components.Conclusion:Zexie-Zaojiaoci couplet medicines exerts therapeutic effects on PKD through multiple components,multiple targets,and multiple pathways.The result provides a theoretical foundation for the clinical application of Zexie-Zaojiaoci couplet medicines and lay the groundwork for developing novel drugs for treating PKD.关键词
泽泻/皂角刺/多囊肾/网络药理/分子对接Key words
Zexie/Zaojiaoci/Polycystic kidney disease/Network pharmacology/Molecular docking分类
医药卫生
