中医康复2025，Vol.2Issue(3)：47-55,9.DOI:10.19787/j.issn.2097-3128.2025.03.010
基于网络药理学及分子对接探讨附子-白术配伍治疗膝骨关节炎的作用机制
The Mechanism of Fuzi-Baizhu in Treatment of Knee Osteoarthritis Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To explore the potential target and molecular mechanism of Fuzi-Baizhu in the treatment of knee osteoarthritis(KOA)from the theory of Fuyang through network pharmacology and molecular docking.Methods:The TCMSP,DisGeNET and GeneCards databases were used to obtain the active ingredients,action targets of Fuzi-Baizhu and KOA disease targets,and the inter-section targets of Fuzi-Baizhu and KOA were obtained by Venny diagram.Then,the"drug-composition-target-disease"network dia-gram was constructed using Cytoscape 3.9.1 visualization software,and the drug-disease protein-protein interaction(PPI)network diagram was constructed using STRING platform.Finally,the GO and KEGG pathway enrichment analysis was performed on inter-section targets using DAVID database,and Autodock software was used for molecular docking of key components and key target proteins.Results:There were 104 intersection targets of Fuzi-Baizhu and KOA,and Karanjin,mesaconitine,denudatine,Aconitine,(R)-Norcoclaurine,Neokadsuranic acid B,Delavaconitine,ignavine,sitosterol are core active ingredients.The core targets may in-volve MMP2,NOS2,AKT1,mTOR,MAPK,JUN.The enrichment analysis of GO and KEGG pathways showed that the biological processes involved inflammation,immune response,cellular response to lipopolysaccharides,active regulation of inflammatory re-sponse,and collagen catabolism.At the same time,TNF signaling pathway,TLR signaling pathway,apoptosis and IL-17 inflamma-tory signaling may be the mechanisms of Fuzi-Baizhu in the treatment of KOA.The results of molecular docking showed that the key active ingredients and target proteins had good binding ability.Conclusion:Fuzi-Baizhu could play a role in the treatment of KOA through intervening the metabolic process of cartilage and regulating the inflammatory signaling pathway,which may provide a basis for the clinical treatment of KOA with Fuzi-Baizhu.关键词
附子-白术/膝骨关节炎/网络药理学/分子对接/炎症通路Key words
Fuzi-Baizhu/knee osteoarthritis/network pharmacology/molecular docking/inflammatory pathway分类
中医学引用本文复制引用
谭建盛,黄飞麒,赵晓..基于网络药理学及分子对接探讨附子-白术配伍治疗膝骨关节炎的作用机制[J].中医康复,2025,2(3):47-55,9.基金项目
广东省中医药局科研项目(20242046) （20242046）
