Exploring the Mechanism of Tianxiang Pills in Improving Myocardial Ischemia-reperfusion Injury Based on Network Pharmacology and Molecular Docking
Objective:To explore the pharmacological substance basis and molecular mechanism of Tianxiang Pills in improving myocardial ischemia-reperfusion injury through network pharmacology and molecular docking technology.Methods:Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TC-MSP)and related literature were consulted to obtain the main active ingredients of the four traditional Chinese medicines in Tianxiang Pills.The target genes associated with the active ingredients were translated into corre-sponding genes using the UniProt database.Detailed information on the active ingredients of Rhodiola rosea and Ziziphora bungeana from the Pubchem database was obtained.If the target gene of the active substance could be found on the TCMSP platform,the results of TCMSP were used;otherwise,the SwissTargetPrediction platform was used to predict the target gene.Disease-related targets were obtained from GeneCards,OMIM,DISGENET and TTD databases,and the DAD database was used to analyze the gene ontology(GO)function and Kyoto Encyclope-dia of Genes and Genomes(KEGG)after the intersection of active ingredient targets and disease targets.Finally,the key targets and compounds were molecularly docked by AutoDock Vina software.Results:A total of 128 ac-tive ingredients and 386 potential targets were identified for the effects of Ziziphora bungeana,Rhodiola rosea,Sal-via miltiorrhiza,and Dallbergia on myocardial ischemia-reperfusion injury.Protein protein interaction(PPI)net-work topology analysis revealed levels of interleukin-6(IL-6),protein kinase B1(Akt1),tumor necrosis factor(TNF),and interleukin-1β(IL-1β)were the key targets of Tianxiang Pills in treating myocardial ischemia-reper-fusion injury.GO functional analysis revealed that the biological processes of Tianxiang Pills mainly focused on positive regulation of RNA polymerase Ⅱ promoter transcription,positive regulation of gene expression,negative regulation of apoptosis process,and response to external stimuli.KEGG signal enrichment analysis showed that it mainly involved blood lipids and atherosclerosis,AGE-RAGE signaling pathway,TNF signaling pathway,apoptosis,IL-17 signaling pathway,prostate cancer,HIF-1 signaling pathway,cAMP signaling pathway,NF-κB signaling pathway,mTOR signaling pathway and other signaling pathways.Molecular docking results showed a strong bind-ing affinity between the active substance and the target protein,with quercetin having the strongest binding affinity with TNF.Conclusion:The treatment of myocardial ischemia-reperfusion injury with Tianxiang Pills has the characteristics of multi-component,multi-target,and multi pathway synergy,providing a theoretical basis and refer-ence for the clinical application of Tianxiang Pills in the future.