Exploring the mechanism of action of Huanglian Jiedu Decoction in the treatment of type 2 diabetes based on network pharmacology and molecular docking
Objective To investigate the mechanism of action of Huanglian Jiedu Decoction in the treatment of type 2 diabetes mellitus(T2DM)through network pharmacology and molecular doc-king.Methods Firstly,based on oral bioavailability and drug-likeness as screening criteria,the active ingredients and corresponding targets of Huanglian Jiedu Decoction were obtained from the TCMSP database.Target prediction was performed using the Swiss Target Prediction database,and the target information obtained from the two databases was merged.The corresponding gene names were searched in the UniProt database.Secondly,the disease targets were retrieved from the GeneCards,TTD,and DrugBank databases using the keyword"type 2 diabetes mellitus."The intersection tar-gets between Huanglian Jiedu Decoction and T2DM,as well as the effective ingredients of Huanglian Jiedu Decoction,were used to construct an ingredient-target network using Cytoscape 3.7.2 software.Protein-protein interaction network analysis of the intersection targets was performed using the STRING database.Then,GO enrichment and KEGG enrichment analysis of the intersection targets were performed using the David database.Finally,molecular docking verification was conducted.Re-sults Huanglian Jiedu Decoction contains 84 active ingredients and 859 targets,while there are 1,181 disease targets.A total of 310 potential targets for the prevention and treatment of T2DM and 72 active ingredients were identified.The top three effective ingredients were quercetin,baicalin,and palmatine.Through KEGG enrichment analysis,the AGE/RAGE signaling pathway in diabetic com-plications was screened out.Molecular docking results showed good docking between quercetin,ba-icalin,and palmatine with the core protein receptor RAGE.Conclusion Huanglian Jiedu Decoction may regulate the AGE/RAGE signaling pathway through key ingredients such as quercetin,baicalin,and palmatine,thus exerting a therapeutic effect on T2DM.
万方数据
维普
