| To study the mechanism of Shensong Yangxin Capsules in the treatment of atrial fibrillation by network pharmacology and molecular docking.Methods:The active components and action targets of Shensong Yangxin Capsules were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and Encyclopedia of Traditional Chinese Medicine(ETCM).The targets of atrial fibrillation were retrieved from GeneCards,TTD,OMIM,PhramGKB,DISGeNET,and DrugBank.R software was used to draw the Venn diagram of drug-active component-disease target network to obtain the potential targets of Shensong Yangxin Capsules in the treatment of atrial fibrillation.GO and KEGG enrichment analyses of potential targets were carried out by R language.The drug-active component-disease target network was plotted by the Cytoscape software,and the key targets and drug active components were obtained by screening.The molecular docking was carried out by AutoDock Vina software.PyMOL software was used to visualize the molecular docking results.Results:A total of 190 active components and 262 corresponding targets of Shensong Yangxin Capsules were obtained.A total of 3 577 targets related to atrial fibrillation were retrieved.There were 171 intersection targets,involving 2 549 GO functions and 183 KEGG signaling pathways.Key target proteins MAPK1,MAPK8,MAPK14,JUN,STAT,FOS,and TNF were finally screened out based on the protein-protein interaction(PPI) network and docked to 10 drug active components one by one,of which 39 pairs showed high docking affinity.The docking results of cryptotanshinone,luteolin,and kaempferol to MAPK1 were the best.Conclusion:Shensong Yangxin Capsules can treat atrial fibrillation through multiple components,targets,and pathways.Furthermore,the therapeutic effect of Shensong Yangxin Capsules against atrial fibrillation is achieved mainly through affecting atrial electrical structure remodeling by MAPK1,regulating metabolism,inhibiting inflammatory response,and regulating cell apoptosis. |
