中国中医药图书情报杂志2026，Vol.50Issue(5)：26-31,38,7.DOI:10.3969/j.issn.2095-5707.202502131
基于网络药理学及分子对接技术探讨膝痹散治疗膝骨关节炎作用机制
Exploration on the Mechanism of Xibi Powder in the Treatment of Knee Osteoarthritis Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective To explore the mechanism of Xibi Powder in treating knee osteoarthritis(KOA)using network pharmacology and molecular docking technology.Methods The active components and corresponding targets of Xibi Powder were retrieved from the TCMSP,HERB and SwissTargetPrediction databases.KOA-related targets were obtained from the GeneCards,DisGeNET and OMIM databases.The intersecting targets of Xibi Powder against KOA were identified using the Venny 2.1.0 online platform.A drug-active component-disease-target network was constructed using Cytoscape software,and key components were screened based on degree values.Core targets were further identified through a protein-protein interaction(PPI)network.Gene Ontology(GO)functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed on key targets using the DAVID database.Finally,molecular docking validation of core targets and key components was conducted using AutoDock Vina software.Results A total of 189 active components and 761 corresponding targets were identified for Xibi Powder.Among them,307 intersecting targets between the drug and disease were obtained,with the key active components being quercetin,karanjin,luteolin,neryl acetate,songoramine.The core targets included IL6,TNF,AKT1,GAPDH and ALB.GO functional enrichment analysis yielded 1 085 biological process terms,116 cellular component terms,and 227 molecular function terms.KEGG enrichment analysis revealed 184 related pathways,including the AGE-RAGE,TNF,HIF-1,IL-17 and PI3K-Akt signaling pathways.Molecular docking results demonstrated that the key components of Xibi Powder had good binding affinity with the core targets in the treatment of KOA.Conclusion Xibi Powder may exert therapeutic effects on KOA by regulating signaling pathways such as AGE-RAGE,TNF,HIF-1 and IL-17 through active ingredients,including quercetin,karanjin and luteolin,which act on key targets such as IL-6,TNF and AKT1.关键词
膝痹散/膝骨关节炎/网络药理学/分子对接/活性成分/槲皮素Key words
Xibi Powder/knee osteoarthritis/network pharmacology/molecular docking/active components/quercetin分类
医药卫生引用本文复制引用
张云华,李平..基于网络药理学及分子对接技术探讨膝痹散治疗膝骨关节炎作用机制[J].中国中医药图书情报杂志,2026,50(5):26-31,38,7.基金项目
重庆市科卫联合中医药科研项目(2023MSXM183) （2023MSXM183）
重庆市南川区科技局2023年度第四批科技计划(Cx202337) （Cx202337）
