Research on the Mechanism of Wind-dispersing and Shufeng Huoluo Pills in Treating Rheumatoid Arthritis Based on Network Pharmacology and Molecular Docking Technology
Objective:To explore the active ingredients and action mechanism of Wind-dispersing and Shufeng Huoluo Pills in the treatment of rheumatoid arthritis(RA)based on network pharmacology and molecular simulation docking technology.Methods:The active ingredients and targets of Wind-dispersing and Shufeng Huoluo Pills were retrieved through TCMSP and PubChem databases,and the gene sites for RA treatment were retrieved through GeneCards and DisGeNET databases.The common targets were obtained by intersection of the above two,and the core compounds and core targets were obtained through the network topology algorithm with the visualization of Cytoscape software.A protein-protein interaction(PPI)network was established through STRING platform to obtain important targets for GO and KEGG enrichment analysis.The core targets and core compounds were verified by molecular docking.Results:158 main active compounds of Wind-dispersing and Shufeng Huoluo Pills were screened,including 49 core compounds such as quercetin,ursolic acid and luteolin,and 248 targets of Wind-dispersing and Shufeng Huoluo Pills for RA treatment were selected,including 84 important targets.The GO function enrichment and KEGG pathway enrichment analysis showed that Wind-dispersing and Shufeng Huoluo Pills mainly regulated the biological processes of inflammation,immune response,cell proliferation,apoptosis and so on,and played a therapeutic role mainly by regulating tumor necrosis factor signaling pathway,cytokine-cytokine receptor interaction signaling pathway,NOD like receptor signaling pathway and so on.Molecular docking results showed that three core compounds(quercetin,ursolic acid,luteolin)in Wind-dispersing and Shufeng Huoluo Pills had strong affinity with three core targets(IL-6,MAPK14,GSK3B).Conclusion:Quercetin,ursolic acid,luteolin and other main active ingredients in Wind-dispersing and Shufeng Huoluo Pills may regulate the body's multiple signaling pathways through core targets such as MAPK14,GSK3B and IL-6,and play a therapeutic role in RA.
Wind-dispersing and Shufeng Huoluo Pillsrheumatoid arthritisnetwork pharmacologymechanism of actionmolecular docking technology
NETL
NSTL
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