Mechanism of Kesuting Syrup in the Treatment of Chronic Bronchitis Based on Network Pharmacology
OBJECTIVE:To explore the active components and the mechanism of Kesuting syrup in the treatment of chronic bronchitis based on network pharmacology and molecular docking technology.METHODS:Active components and potential targets of Kesuting syrup as well as the disease targets related to chronic bronchitis were analyzed through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,DrugBank,DisGeNet and GeneCards databases and relevant literature.Intersection of component targets and disease targets was imported into the STRING database to perform protein-protein interaction(PPI)analysis.Cytoscape software was used to construct drug-component-target network,drug-component-key target network,PPI network diagram and drug-component-target-pathway network diagram.Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis on intersecting targets were performed by RStudio software.Molecular docking verification on key targets and active components was performed by AutoDockTools software.RESULTS:A total of 75 active components in 9 flavors of herbs in Kesuting syrup,579 predicted targets,263 disease targets and 51 potential intersecting targets of chronic bronchitis were obtained through retrieval.The process of GO enrichment analysis involved 1 472 items,including 1 292 items of biological processes,88 items of cellular components,and 92 items of molecular functions.Totally 55 signaling pathways were obtained in KEGG enrichment analysis,including fluid shear stress and atherosclerosis,cyclic adenosine monophosphate signaling pathway,calcium ion signaling pathway,neuroactive ligand-receptor interactions and cancer pathway.The results of molecular docking showed that the binding energy between key targets and key active components was low and the docking effect was good.CONCLUSIONS:This study has verified and predicted that the active components in Kesuting syrup could achieve the treatment of chronic bronchitis by acting on multiple targets and regulating multiple pathways,which has provided thoughts for the research and clinical application of its mechanism.
万方数据
维普
