Mechanism of action of Pueraria flower in treatment of acute alcoholism:A study based on network pharmacology and molecular docking
Objective:To investigate the mechanism of action of Pueraria flower in the treatment of acute alcoholism based on network pharmacology and molecular docking.Methods:TCMSP database was used to obtain the active components of Pueraria flower and their targets,and Cytoscape was used to establish a component-tar-get network.GeneCards,OMIM,DrugBank,and DisGeNET were used to collect the gene targets associated with a-cute alcoholism.Venny 2.1.0 was used to obtain the intersecting target genes between the active components and the disease,and STRING was used to establish a protein-protein interaction network.R software was used to per-form GO functional enrichment analysis and KEGG pathway enrichment analysis.Molecular docking was used to validate the interaction between the core chemical components and the core targets.Results:A total of 18 active components were obtained for Pueraria flower,involving 193 target genes,among which the top 10 targets were AKT1,IL-6,TP53,IL-1 β,JUN,TGF-βG,MMP9,BCL2,CASP3,and PTGS2.GO functions mainly involved response to reactive oxygen species,response to lipopolysaccharide,membrane raft,membrane microdomain,cyto-kine receptor binding,and growth factor receptor binding,and KEGG pathways mainly included fluid shear stress and atherosclerosis,lipid and atherosclerosis,and non-alcoholic fatty liver disease.Molecular docking obtained a binding energy of＜-5 kcal/mol,suggesting a good binding effect.Conclusion:Pueraria flower exerts a therapeu-tic effect on acute alcoholism by regulating the signaling pathways such as IL-17 and Keap1/Nrf2,inhibiting in-tracellular oxidative stress response,and alleviating inflammatory response through the targets including IL-6,PTGS2,and IL-1β.
acute alcoholismPueraria flowermechanism of actionnetwork pharmacologymolecular docking
NETL
NSTL
万方数据
