Objective To explore the mechanism of Gui Jianyu(Euonymus alatus(Thunb.)Sieb.)in treating hypertension(HT)complicated with impaired glucose tolerance(IGT)based on network pharmacology and molecular docking technology....Objective To explore the mechanism of Gui Jianyu(Euonymus alatus(Thunb.)Sieb.)in treating hypertension(HT)complicated with impaired glucose tolerance(IGT)based on network pharmacology and molecular docking technology.Methods The main chemical components and targets of Gui Jianyu were obtained from TCMSP database.The Swiss Target Prediction platform was used to predict drug-related targets for supplement.Main disease targets of HT complicated with IGT were obtained from GenCards,OMIM and DrugBank databases.The intersection targets of drugs and two diseases were obtained by R and Veen Diagram was drawn.The protein-protein interaction(PPI)network model was constructed in STRING platform and visualized by Cytoscape tool.GO and KEGG analysis on Metascape platform were used to analyse the common targets.Network of main drug components-disease targets-pathways was established with Cytoscape tool.Finally,the molecular docking between the core regulatory active components of Gui Jianyu and the core targets were verified by Autodock vina.Results Eight active components and 357 corresponding targets were obtained.681 HT related targets and 727 IGT related targets,196 disease intersection targets,and 57 Gui Jianyu targets in the treatment of HT complicated with IGT were confirmed.20 GO and 19 KEGG main pathways were enriched.Molecular docking of 2 key active ingredients with 2 key targets showed that all results scores were less than-5.0 kcal·mol-1.Quercetin and kaempferol,the key active components,had good binding activity with AKT1 and TP53.Conclusion Gui Jianyu may play a key role in the treatment of HT complicated with IGT by reducing insulin resistance.This work explored the common pathogenesis of HT complicated with IGT,and also provided a reference for further pharmacological research and exploration the efficacy of Gui Jianyu for HT complicated with IGT.展开更多
文摘Objective To explore the mechanism of Gui Jianyu(Euonymus alatus(Thunb.)Sieb.)in treating hypertension(HT)complicated with impaired glucose tolerance(IGT)based on network pharmacology and molecular docking technology.Methods The main chemical components and targets of Gui Jianyu were obtained from TCMSP database.The Swiss Target Prediction platform was used to predict drug-related targets for supplement.Main disease targets of HT complicated with IGT were obtained from GenCards,OMIM and DrugBank databases.The intersection targets of drugs and two diseases were obtained by R and Veen Diagram was drawn.The protein-protein interaction(PPI)network model was constructed in STRING platform and visualized by Cytoscape tool.GO and KEGG analysis on Metascape platform were used to analyse the common targets.Network of main drug components-disease targets-pathways was established with Cytoscape tool.Finally,the molecular docking between the core regulatory active components of Gui Jianyu and the core targets were verified by Autodock vina.Results Eight active components and 357 corresponding targets were obtained.681 HT related targets and 727 IGT related targets,196 disease intersection targets,and 57 Gui Jianyu targets in the treatment of HT complicated with IGT were confirmed.20 GO and 19 KEGG main pathways were enriched.Molecular docking of 2 key active ingredients with 2 key targets showed that all results scores were less than-5.0 kcal·mol-1.Quercetin and kaempferol,the key active components,had good binding activity with AKT1 and TP53.Conclusion Gui Jianyu may play a key role in the treatment of HT complicated with IGT by reducing insulin resistance.This work explored the common pathogenesis of HT complicated with IGT,and also provided a reference for further pharmacological research and exploration the efficacy of Gui Jianyu for HT complicated with IGT.
