Study on Network Pharmacology and Molecular Docking of Zhihuang Zhitong Granules in the Treatment of Gouty Arthritis
Objective:To investigate the scientific principle and mechanism of Zhihuang Zhitong Granules in the treatment of gouty arthritis(GA)based on network pharmacology and molecular docking technology.Methods:The main active ingredients and targets of Zhihuang Zhitong Granules were searched through HERB database,and target names were regulated and transformed using Uniprot database.GA-related disease targets were summarized through GeneCards,OMIM,PharmGkb,TTD and DrugBank databases,and the intersection of disease targets and drug targets was selected.Cytoscape software 3.8.0 was used to generate drug-active ingredient and target network,and the protein interaction network of intersecting targets was constructed using STRING database.Topological analysis was carried out on Cytoscape software to obtain core genes.The data package constructed by Metascape web page and R software was used for gene ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of core genes.Finally,core targets were selected for molecular docking veri-fication with active pharmaceutical ingredients.Results:A total of 88 active components of Zhihuang Zhitong Granules were screened,and 212 targets were identified.GA had 312 disease targets and 43 disease and drug in-tersection targets.A total of 56 enrichment pathways were included in GO enrichment analysis,including 4 biologi-cal processes,21 molecular functions and 31 cell compositions.KEGG pathway enrichment analysis revealed 133 pathways,involving lipid and atherosclerosis,IL-17 signaling pathway,AGE-RAGE signaling pathway in diabetes complications,TNF signaling pathway,fluid shear application and atherosclerosis pathways.The results of molecu-lar docking showed that the main active components of the drug and the core genes could bind to each other and had good affinity.Conclusion:Zhihuang Zhitong Granules has pharmacological effects on GA through multiple components,multiple targets,multiple ways,which lays a foundation for exploring the pharmacological mechanism of the prescription
Gouty arthritisZhihuang Zhitong GranulesNetwork pharmacologyMolecular dockingMechanism of action
NETL
NSTL
万方数据
