The Mechanism of Anti-myocardial Ischemia-reperfusion Injury of Honey-fried Licorice Decoction Based on Network Pharmacology and Molecular Docking
Objective:To explore the mechanism of action of Honey-fried Licorice Decoction on myocardial ischemia/reperfusion injury(MIRI)based on network pharmacology and molecular docking.Methods:The active components of Honey-fried Licorice Decoction were obtained and its target was predicted by the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP)and the Traditional Chinese Medicine Molecular mechanism bioinformatics analysis tool(BATMAN-TCM).The target of MIRI was predicted by the integrated platform of human Gene Synthesis(GeneCards)and human disease-related gene and mutation information(DisGeNET)database,and the potential target of Honey-fried Licorice Decoction anti-MIRI was obtained by Venny online software.The protein interaction(PPI)network was constructed using the Protein Interaction Analysis Database(String database)platform,and the core targets were screened and visualized by Cytoscope 3.9.1 software.The anti-MIRi mechanism of Honey-fried Licorice Decoction was investigated by Gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathway enrichment analysis for the selected core targets by Metascape gene function analysis platform.The molecular docking program AutoDock vina was used to verify the binding activity of the main active ingredients of Honey-fried Licorice Decoction and its core target.Results:After screening,147 active ingredients,865 gene targets,and 144 MIRI targets of Honey-fried Licorice Decoction were selected.Seventy-nine potential anti-MIRI targets were obtained through Venny database.Forty core targets were screened by PPI network analysis,which showed that tumor necrosis factor(TNF),interleukin-6(IL-6),protein kinase B-α(AKT1),vascular endothelial growth factor A(VEGFA),endothelial nitric oxide synthetase(NOS3),catalase(CAT),CC chemokine ligand 2(CCL2),and myeloperoxidase(MPO)were related to inflammatory response or oxidative stress.GO enrichment analysis showed that oxidative stress and inflammation were closely related to this biological process.The anti-MIRI pathways of Honey-fried Licorice Decoction were explored by KEGG analysis,and 178 signal pathways were mapped.The top 3 components and their key targets in the active ingredient-disease-core target-pathway network of Honey-fried Licorice Decoction were verified.The results showed that the main active components of Honey-fried Licorice Decoction showed strong binding activity with the key targets to form stable compounds.Conclusion:Glycyrrhizin A,ginsenoside Rh2,6-aldehyde isophiopogon flavonoid B,kaempferol,ononcetin,and ophiopogon saponin C were the main anti-MIRI components of Honey-fried Licorice Decoction.Mitogen-activated protein kinases(MAPKs),TNF,Toll-like receptors,hypoxia-inducing factor-1(HIF-1),and phosphatidylinosito-3 kinase/protein kinase B(PI3K/AKT)were regulated through core targets such as TNF,IL-6,AKT1,VEGFA,NOS3,CAT,CCL2,and mammalian target of rapamycin(mTOR),transforming growth factor-β(TGF-β),nuclear transcription factor-κB(NF-κB),and other signaling pathways to alleviate and improve MIRI,reflecting the advantages of Honey-fried Licorice Decoction's multi-component,multi-target,multi-pathway action,which would provide data and theoretical support for further zoological experiments and clinical trials.
万方数据
维普
