The molecular action mechanism of Gansong on atrial fibrillation based on network pharmacology and molecular docking technology
Objective:Based on the network pharmacology and molecular docking technology,the action targets and pathways of Gansong(Rhizoma Nardostachyos)in the treatment of atrial fibrillation was explored to discuss the action mechanism of Gansong on atrial fibrillation.Methods:TCMSP database was used to search the active constituents of Gansong,and their action targets were predicted.DrugBank,GeneCards,OMIM and DisGeNET databases were used to collect targets related to the treatment of atrial fibrillation,then the intersection targets of Gansong and atrial fibrillation was obtained.Cytoscape 3.7.2 software was used to construct a network of drug-active ingredients-potential action targets,so as to obtain the key ingredients of Gansong on atrial fibrillation.STRING database was used to obtain the protein-protein interaction(PPI)network of intersecting targets.The PPI network was visualized and analyzed to screen key targets.The Metascape database was used for gene ontology(GO)functional enrichment analysis and Kyoto genomic and genomic encyclopedia(KEGG)pathway enrichment analysis.Finally,PyMOL,AutoDock 4.2.6 and AutoDockTools 1.5.7 were used to verify the molecular docking between key components and key targets.Results:The key targets of Gansong on atrial fibrillation include ursolic acid,cryptotanshinone and acacetin,etc.Important action targets such as caspase3,interleukin(IL-6),tumor necrosis factor(TNF),celltumor antigen p53 and vascular endothelial growth factor A were obtained through PPI network screening.The results of KEGG enrichment analysis showed that Gansong played a role in the treatment of atrial fibrillation mainly through cancer pathways,PI3K-Akt signaling pathway,AGE-RAGE signaling pathway in diabetic complications,TNF signaling pathway and IL-17 signaling pathway.The molecular docking showed that the main active components of Gansong can combine well with key core targets.Conclusion:Gansong is a multi-component,multi-target and multi-pathway method on atrial fibrillation,which provides a scientific basis for subsequent experimental studies to further elaborate its action mechanism.
万方数据
维普
