Exploration of the Mechanism of Qingre Qushi Decoction in Treating Knee Osteoarthri⁃ tis Based on Network Pharmacology and Molecular Docking Technology
Abstract: Objective: To study the mechanism of Qingre Qushi Decoction in the treatment of knee osteoarthritis by network pharmacology and molecular docking technology. Methods:The drug component targets of Qingre Qushi Decoction were searched by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) database. TTD, Genecards and OMIM databases were used to search the targets of knee osteoarthritis. Making Venn diagram to obtain the intersection targets of drugsdiseases; Cytoscape3.9.0 software was used to map the effective ingredients of drugs-diseases-common targets network. The protein-protein interaction (PPI) network was constructed with String database. The intersection targets were enrichment analyzed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) using R language software. Software such as AutoDockTools1.5.6 was used to verify the molecular docking between the main components of drugs and the core target proteins of diseases. Results:The key components of Qingre Qushi Decoction were quercetin,luteolin,etc.. PPI network was constructed to obtain the core targets AKT serine / threonine kinase 1 (AKT1), SERPIN family E member 1 (SERPINE1),etc.. A total of 1 902 GO items were obtained by GO enrichment analysis,and 105 signaling pathways were obtained by KEGG enrichment analysis. Five main effective ingredients were used for docking with five core target proteins,and all of them had good binding activity. Conclusion:The treatment of knee osteoarthritis with Qingre Qushi Decoctionmay has the characteristics of multiple components, targets and pathways, through the regulation of inflammatory response, cartilage matrix degradation, chondrocyte apoptosis and proliferation,and so on,to delay the progression of knee osteoarthritis.