Exploring mechanism of action of Qingjin Yiqi Granules against fatigue based on network pharmacology,molecular docking and experimental validation
Objective To investigate the efficacy and potential mechanism of action of Qingjin Yiqi Granules against fatigue.Methods The active ingredients and targets of drug action were obtained through TCM Systematic Pharmacology Database and Analysis Platform(TCMSP),High-Throughput Experimental and Reference Guide Database for Traditional Chinese Medicines(HERB),PubChem,Swiss Target Prediction,and the disease-related targets of fatigue were collected through GeneCards and OMIM databases.VENNY 2.1 was used to obtain drug-disease intersection targets,and then the drug-active ingredient-fatigue-intersection target interrelationship network was constructed in conjunction with Cytoscape 3.9.1 software.The intersecting targets were imported into the STRING database to construct a protein-protein interaction(PPI)network and the intersecting targets were analyzed for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment using the DAVID database,to predict the anti-fatigue mechanism of Qingjin Yixi Granules.Key active ingredients and core targets were selected for molecular docking.The mice were observed in the weight-bearing exhaustion swimming experiment,and the mice were measured in the non-weight-bearing swimming experiment for serum lactate(BLA),urea nitrogen(BUN),lactate dehydrogenase(LDH),malondialdehyde(MDA),superoxide dismutase(SOD),glutathione peroxidase(GSH-Px),liver glycogen(LG),myoglobulin(MG),glucose(GLU),and so on.The efficacy of Qingjin Yiqi Granules against fatigue was evaluated.Results The results of network pharmacology and molecular docking showed that the 210 potential targets of anti-fatigue of Qingjin Yiqi Granules were mainly enriched in the signaling pathways such as PI3K-AKT,MAPK,HIF-1,FoxO,etc,and the binding ability of its main active ingredients and key target proteins was good.The results of animal experiments showed that Qingjin Yiqi Granules could exert anti-fatigue effects by prolonging the weight-bearing 5％exhaustion swimming time of mice,decreasing the serum content of BLA,BUN,and MDA in non-weight-bearing swimming mice,and increasing the body's LG,MG,and GLU content storage and the activities of LDH,SOD,and GSH-Px.Conclusions Qingjin Yiqi Granules may exert anti-fatigue effects by regulating the signaling pathways such as PI3K-AKT,MAPK,HIF-1,FoxO and other signaling pathways that affect the body's energy metabolism and oxidative stress.
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