Study on the Mechanism of Hulisan in the Treatment of Knee Osteoarthritis Based on Network Pharmacology and Molecular Docking Techniques
Objectives This study aims to analyze the mechanism by which Hulisan treats knee osteoarthritis using network pharmacology and molecular docking technology.Methods The TCMSP database,Uniprot,NCBI,CTD,and GeneCards databases were utilized to retrieve the active ingredients of Hulisan and the related targets associated with knee osteoarthritis.The String platform and Cytoscape 3.8.0 software were used.Network Analyzer facilitated topology analysis,MCODE analysis facilitated core gene screening,and GO and KEGG enrichment analyses were conducted.Finally,molecular docking virtual calculations were performed using the RCSB Protein Data Bank database and software such as Autodock Tools 1.5.6.Results Network analysis identified 38 potential active ingredients of Hulisan in treating knee osteoarthritis,including quercetin,β-sitosterol,kaempferol,and ginsenoside rh2.A total of 192 potential targets were identified,including CYP1B1,VCAM1,and RELA.Enrichment analysis revealed that the core targets of Hulisan in treating knee osteoarthritis primarily involve pathways such as TNF signaling,IL-17 signaling,etc.,thereby regulating inflammatory response and cell apoptosis to delay the progression of knee osteoarthritis.Molecular docking calculations demonstrated that quercetin contained in Hulisan exhibited strong binding activity to core targets such as AKT1,CASP3,IL-1B,IL-6,and PTGS2.Conclusions Hulisan exhibits therapeutic potential for knee osteoarthritis through inhibition of inflammatory response,cartilage degeneration,and regulation of cell apoptosis.This study elucidates the molecular mechanism of Hulisan in treating knee osteoarthritis,highlighting its value for further investigation.
万方数据
维普
