Mechanism of Liquidambaris Fructus in treatment of rheumatoid arthritis based on network pharmacology and molecular docking
Objective To study the molecular mechanism of Liquidambaris Fructus in treatment of rheumatoid arthritis by utilizing network pharmacology and molecular docking technology.Methods The active components and potential targets of action of Liquidambaris Fructus were identified by TCMSP databases.GeneCards,OMIM,and DisGeNET databases were utilized to search for relevant targets of rheumatoid arthritis.Venn diagrams were plotted using Venny 2.1 to identify intersecting targets.Based on the STRING database,Cytoscape 3.10 software was used to construct a network diagram of"drug-active ingredient-potential target-disease",and the core targets were screened by topological analysis.GO enrichment analysis and KEGG pathway enrichment analysis were performed using DAVID database.Molecular docking experiments were performed by Autodock software.Results Including pinosylvin,β-sitosterol,sitosterol,and isostatin epoxide,and 169 potential targets were screened.The 114 intersecting targets related to rheumatoid arthritis were identified.The network of"drug-active ingredient-potential target-disease"was constructed,and 54 core targets were screened,such as SLC6A3,HSD11B1,etc.GO and KEGG enrichment analysis revealed a number of biological processes and signaling pathways.GO and KEGG enrichment analysis revealed multiple biological processes and signaling pathways,such as neuroactive ligand-receptor interactions,calcium signaling pathway,etc.Molecular docking verified the interactions between active ingredients and core targets.Conclusion Liquidambaris Fructus may exert anti-inflammatory and immunomodulatory effects by modulating rheumatoid arthritis-related key targets(SLC6A3,HSD11B1,etc.)and signaling pathways,providing new evidence at the molecular level for the clinical treatment of rheumatoid arthritis.
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