Mechanism of Banbei Pills in treatment of bronchitis based on network pharmacology and molecular docking technology
Objective To mining the mechanism of Banbei Pills in treatment of bronchitis by network pharmacology and molecular docking and molecular docking technology.Methods To search the chemical components and targets of Banbei Pills by literature mining and TCMSP platform,and construct the"ingredient-target"network of Banbei Pills.To obtain the disease targets of bronchitis by GeneCards and OMIM database,and construct Venn diagram to obtain the targets of Banbei Pills in treatment of bronchitis.The"disease-active ingredient"network model was constructed using Cytoscape software.The common target was analyzed by using String platform for protein interaction(PPI)network analysis,and the target was enriched by GO function and KEGG pathway through Metascape database.SwissDock online database was used for molecular docking.Result A total of 29 components,95 potential targets,1 964 targets related to bronchitis,and 49 targets of Banbei Pills and bronchitis were obtained.The network analysis results showed that the key targets of Banbei Pills in treatment of bronchitis included Akt1,VEGFA,TP53,CASP3,JUN,and MMP9.Biological processes mainly involved cellular response to organic cyclic compound,apoptotic signaling pathway,transcription factor complex and cysteine-type endopeptidase activity involved in apoptotic signaling pathway.KEGG enrichment mainly involved PI3K/Akt,apoptosis,AGE-RAGE and other signaling pathways.The molecular docking results showed that β-sitosterol,baicalein,and sitosterol and other key compounds in Banbei Pills have better binding ability with key targets such as Akt1,VEGFA,TP53,and CASP3.Conclusion Banbei Pills in treatment of bronchitis have the characteristics of multi-component,target,and multi-pathway.
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