Exploring the mechanism of Buzhongyiqi decoction in treating chronic heart failure based on network pharmacology and molecular docking technology
Aim To explore mechanisms of Buzhongyiqi decoction in the treatment of chronic heart failure(CHF)based on network pharmacology and molecular docking techniques.Methods The main active ingredients of Buzhongyiqi decoction were i-dentified by using the TCMSP,TCM-MESH,and ETCM databases.CHF-related targets were obtained from GeneCards,OMIM,Dis-GeNET,and TTD databases.A traditional Chinese medicine-disease-effective ingredient-target network was constructed to identify the core components of the traditional Chinese medicine.The protein-protein interaction network between Buzhongyiqi decoction and CHF prediction targets was established to allow screening for the core targets.GO and KEGG enrichment analyses were performed on the key targets,and molecular docking studies were conducted.Results A total of 135 active ingredients,200 drug targets,1 792 CHF-related targets,and 104 intersecting genes were identified.The core components included quercetin,kaempferol,naring-in,and nobiletin.The core targets identified were AKT1,TNF,IL-6,and IL-1 β.GO analysis mainly included the response to hormones,the response of cells to cytokine stimulation,kinase binding proteins,protein homodimerization activity,lipid rafts,plasma membrane protein complexes,etc.The involved KEGG pathways primarily included cancer signaling pathways,lipid metabolism and atherosclerosis,and AGE-RAGE signaling pathways in diabetic complications.Molecular docking results indicated favorable binding interactions between the core ingredients and core target proteins.Conclusion The therapeutic mechanisms of Buzhongyiqi decoc-tion in treating chronic heart failure may involve its core components to target AKT1,TNF,IL-6,and IL-1 β,thereby regulating multi-ple pathways and inhibiting inflammation,glucose and lipid metabolism,and immune response.
万方数据
维普
