A study on the mechanism of Banxia-Chenpi-Tiannanxing in the treatment of vascular dementia based on network pharmacology and molecular docking
Objective:Based on network pharmacology,the mechanism of action of Banxia(Rhizoma Pinelliae)-Chenpi(Pericarpium Citri Reticulatae)-Tiannanxing[Rhizoma erubescens(Wall.)Schott]in the treatment of pak-vascular dementia was explored.Methods:TCMSP was used to obtain the active ingredients of drugs and predict the targets.The 2D structure diagram was obtained and entered into the PhramMapper database to obtain the constituent targets.Four databases including PharmGKb,GeneCards,DrugBank,and Therapeutic Target Database were used to predict disease targets.Use the Venny 2.1 Venn diagram mapping platform to obtain drug-disease intersection targets.Protein-protein interaction networks were constructed using the STRING database.Core targets were obtained using R language and the CytoNCA app in Cytoscape software.KEGG and GO enrichment analysis were performed by BiocManager package and OrgDb package in R language and R Studio software.Using CytoScape software,a drug-component-target-pathway network diagram was established.Results:Eight core drug ingredients were obtained,including β-sitosterol,sitosterol,baicalin,stigmasterol,baicalein,gondoic acid,10,13-eicosadienoic acid and coniferin.There are 14 core targets,including TP53,PTGS2,MAPK3,CASP3,JUN,AKT1,ALB,HIF1A,etc..The biological processes in GO enrichment analysis mainly include the response to the decrease of oxygen level,the regulation of protein localization establishment,the response to xenobiotic stimulation,and the positive regulation of phosphorus metabolism.The cellular components are mainly protein kinase complexes,receptor complexes,glutamatergic synapses,blood particles,etc..Molecular function is mainly kinase modulator activity,nitric oxide synthase regulator activity,MAP kinase activity,etc..KEGG enrichment mainly includes pathways in cancer,lipid and atherosclerosis,diabetic cardiomyopathy,serotonergic synapse,longevity regulating pathway,dopaminergic synapse and other top 20 signaling pathways.Conclusion:Banxia-Chenpi-Tiannanxing has many characteristics in the treatment of vascular dementia,such as multiple components,multiple targets,and multiple pathways.
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