Mechanism of action of Munronia henryi Harms in treatment of rheumatoid arthritis based on UPLC-Q-Exactive Orbitrap MS/MS combined with network pharmacology and molecular docking
Objective Based on UPLC-Q-Exactrap Orbitrap MS/MS technology to identify the chemical components of Munronia henryi Harms,combining network pharmacology and molecular docking technology to study the mechanism of Munronia henryi Harms in treating rheumatoid arthritis.Methods UPLC-Q-Exactive Orbitrap MS/MS technology was used to identify the chemical components of Munronia henryi Harms.Using the Swiss database to screen and predict targets,obtain disease targets through databases such as Gene Cards,OMIM,TTD.Take the intersection of the two targets,constructing a target interaction network using Cytoscape.Using the Online bioinformatics analysis and visualization cloud platform for GO and KEGG analysis.AutoDockTools 1.5.7 software was used to simulate the molecular docking between the compound and the core target.Results 63 Compounds were derived,42 compounds were screened,and 37 compounds were predicted to target.338 drug targets,1 889 disease targets,and 154 intersection targets were screened out.GO analysis and KEGG analysis indicate that Munronia henryi Harms can exert therapeutic effects on rheumatoid arthritis through multiple biological pathways and pathways.Molecular docking shows that Munronia henryi Harms can stably bind to targets targeting rheumatoid arthritis.Conclusion Munronia henryi Harms can treat rheumatoid arthritis through multiple targets and pathways,providing a reference basis for subsequent disease research and drug development.
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