The molecular mechanism of Tibetan medicine Caragana jubabt Poir in the treatment of high altitude potycythemia based on network pharmacology and molecular docking
Objective To explore the molecular mechanism of the therapeutic effect of Tibetan medicine Caragana jubabt Poir on high altitude polycythemia(HAPC)based on network pharmacology and molecular docking.Methods The active ingredients of Caragana jubabt Poir were identified through literature review.The SwissTargetPrediction database was used to predict its potential targets.The OMIM and GeneCards databases were used to screen for HAPC targets.The drug action targets and disease targets were intersected to construct a protein-protein interaction network.The DAVID database was used for gene function and pathway enrichment analysis,and AutoDock software was used to perform molecular docking on key active ingredients and core targets,in order to screen out potential targets of action and related signaling pathways for the active ingredients of Caragana jubabt Poir.Results There were 25 effective active ingredients of Caragana jubabt Poir,with 401 corresponding targets.The top 8 components with the higher connectivity were 7,3',4'-Trihgdroxy flavone,Geraldone,Quercetin,biochanin A,lsorhamnetin,7,4'-Dihydroxyflavone,Formononetin,Afrormosin.261 HAPC targets were obtained and there was a total of 41 intersection targets between drug components and HAPC,the core targets including VEGFA,AKT1,TNF,HAP90AA1,ESR1,MMP9,ACE,F2,CYP3A4,REN;Biological process(BP),celluar components(CC),molecular function(MF)were mainly related with response to hypoxia,positive regulation of protein phorylation,cell surface,macromolecular complex,steroid binding,enzyme binding.The key signaling pathways mainly involved Pathways in cancer,Chemical carcinogenesis-receptor activation,Fluid shear stress and atherosclerosis,etc.The molecular docking results showed that the 8 main active ingredients had good binding with ACE and CYP3A4,and the binding energies were all less than-8.5 kcal·mol-1.Conclusion The active ingredients of Caragana jubabt Poir could act on multiple targets through multiple pathways to treat HAPC,which provides a certain scientific basis for its clinical application.
万方数据
维普
