Mechanism of Sinomenii Caulis in treatment of gout arthritis based on network pharmacology and molecular docking
Objective To explore the mechanism of Sinomenii Caulis in treating gouty arthritis based on network pharmacology and molecular docking techniques.Methods To obtain the effective active ingredients of Sinomenii Caulis and predict their targets through the TCMSP and SwissTarget Prediction database.Gouty arthritis related targets were obtained from GeneCards,OMIM,DisGenet,and TTD databases.The intersection targets of both sets were identified using a Venn diagram,and these were input into the STRING platform and Cytoscape 3.9.1 to construct a PPI network.The common targets were subjected to GO biological enrichment analysis and KEGG pathway enrichment analysis using the DAVID database.Molecular docking and visualization processing were performed using AutoDockTools.Results Six effective active ingredients of Sinomenii Caulis were obtained.After the intersection of drug and disease targets,84 key targets were identified.The PPI network revealed core targets including PTGS2,PPARG,JUN,TLR4,NOS2,etc.KEGG pathway analysis suggested involvement in cancer pathways,TNF signaling,Th17 cell differentiation,NF-κB pathway,lipid metabolism,and atherosclerosis pathways,among others.Molecular docking results demonstrated favorable binding capabilities of Sinomenii Caulis main active components sinomenine,β-sitosterol,16-epi-isositsirikine,michelenolide,stepholidine with key proteins PPARG,NOS2,PTGS2,and TLR4.Conclusion Sinomenii Caulis exhibits a multi-component,multi-target characteristic,alleviating inflammation through multiple pathways,indicating potential efficacy in treating acute attacks of gouty arthritis.
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