Study On The Mechanism Of Wuzang Wenyang Huayu Decoction In The Treatment Of Vascular Dementia Based On Network Pharmacology And Molecular Docking Technology

Objective: To explore the effective components and mechanism of Wuzang Wenyang Huayu Decoction in the treatment of Vascular dementia from the molecular level by using network pharmacology and molecular docking,and to find out its possible targets and pathways,so as to provide a new direction for the follow-up treatment of VD and a scientific basis for its clinical application.Methods: The first part: The chemical constituents and corresponding target genes of ten kinds of five Wuzang Wenyang Huayu Decoction were retrieved from TCMSP database,and the disease targets of vascular dementia were obtained from Genecards,OMIM and Dis Ge Net databases,and standardized naming was carried out through Uni Prot database.Input the intersection target of drugs and diseases into the String database,draw the protein interaction network diagram of Wuzang Wenyang Huayu Decoction in the treatment of vascular dementia by Cytoscape3.8.2software,and obtain the core target of Wuzang Wenyang Huayu Decoction’s therapeutic effect.GO function enrichment analysis and KEGGPathway analysis were carried out by using Metascape platform.The network diagram of "disease-drug-component-target-pathway" was constructed by using the software Cytoscape3.8.2,and the top five core protein targets and active components of key compounds were screened out.The second part: Using Autodock and Pymol software to verify the molecular docking between the core protein target and the key active components,and visualize it.Results:(1)Active components and targets: It was found that there were118 active components acting on 234 target genes in Wuzang Wenyang Huayu Decoction,and quercetin,luteolin,kaempferol,baicalin and β-sitosterol were the main active components.(2)Disease-related target genes: 1256 vascular dementia targets were obtained through Geneards database,OMIM database and Dis Ge Net database.(3)PPI network core targets: PPI network analysis shows that there are 8 key targets,namely AKT1,IL6,VEGFA,IL1 B,CASP3,JUN,PTGS2 and EGFR.(4)GO function analysis and KEGG pathway analysis: 1606 biological processes,95 cell components and 144 molecular functions were obtained from GO function analysis,among which the biological processes mainly involved: regulating the response to reactive oxygen species,oxidative stress response,metal ion response and cell response to lipids.192 signal pathways were obtained by KEGG enrichment analysis,mainly involving: lipid and atherosclerosis,AGE-RAGE signal pathway,TNF signal pathway,IL-17 signal pathway and PI3K/Akt signal pathway in diabetic complications.(5)Molecular docking results: The binding force of VD key protein targets such as AKT1,IL-6,VEGFA,IL-1b,CASP3,JUN,PTGS2,EGFR and the main active components of Wuzang Wenyang Huayu Decoction such as quercetin,luteolin,kaempferol,baicalin andβ-sitosterol were all less than-5.0 kcal/mol by molecular docking method,so it can be seen.Conclusions:(1)Wuzang Wenyang Huayu Decoction may mainly regulates AKT1,IL6,VEGFA,IL1 B,CASP3,JUN,PTGS2,EGFR and other targets through quercetin,luteolin,kaempferol,baicalin and β-sitosterol.It mediates lipid and atherosclerosis,AGE-RAGE signaling pathway,fluid shear and atherosclerosis,TNF signaling pathway,IL-17 signaling pathway and PI3K/Akt signaling pathway in diabetic complications,thus regulating oxidative stress,inflammatory response,apoptosis and synaptic function to treat VD.(2)The PI3K/Akt signaling pathway involved in network pharmacology analysis is consistent with the previous research results of treating VD with Wuzang Wenyang Huayu Decoction,and it is feasible and effective to treat VD by activating PI3K/Akt/m TOR signaling pathway.