Study on the Mechanism of Action of Jiaotai Pills in Treating Diabetic Encephalopathy based on Network Pharmacology and Molecular Docking
Objective:To study the mechanism of action of Jiaotai Pills(Coptis chinensis and Cinnamon bark)in treating diabetic encephalopathy by using network pharmacology and molecular docking technology.Methods:The ac-tive ingredients of Jiaotai Pills were retrieved through TCMSP database and BATMAN-TCM database,and the target genes of Jiaotai Pills were predicted using PubChem and Swiss Target Prediction databases.The target genes related to diabetic encephalopathy were searched using GeneCards and OMIM databases,and drug targets were mapped to dis-ease targets using Venny2.1.0.PPI network diagrams and active ingredient-target diagrams were drawn using STRING platform and Cytoscape3.8.2 software,and the core active ingredients and key proteins were obtained through network topology parameter analysis.Gene ontology(GO)biological process analysis and Kyoto Encyclopedia of Genes and Ge-nomes(KEGG)pathway analysis were performed on drug-disease intersection targets,and molecular docking was per-formed using Autodock and PyMOL.Results:A total of 35 effective ingredients of Jiaotai Pills were collected,including 669 ingredient targets,1559 diabetic encephalopathy-related targets,and 192 common targets of drug ingredients and diseases.Among them,the key active ingredients of Jiaotai Pills for the treatment of diabetic encephalopathy are ber-berine,cinnamyl acetate,berberine,magnolia alkaloids,cinnamyl benzoate,etc.,and the core targets are ALB,AKT1,GAPDH,TNF,SRC,etc.Pathway enrichment analysis found that Jiaotai Pills mainly involved AGE-RAGE signaling pathways in diabetic complications,lipids and atherosclerosis,and proteoglycan pathways in cancer in the treatment of diabetic encephalopathy.Molecular docking results showed that the docking activity of the key active ingredients of Jiaotai Pills with the core targets was relatively stable.Conclusion:Jiaotai Pills can play a therapeutic role in diabetic encephalopathy through multiple targets and multiple pathways,and its specific mechanism of action needs further re-search and verification.
Network pharmacologyMolecular dockingDiabetic encephalopathyJiaotai PillsMechanism of action
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