Mechanism of xylose-pyrogallol complexes in sepsis associated acute kidney injury based on network pharmacology and molecular docking
Objective To explore the potential targets of xylose-pyrogallol complexes(XP)in ameliorating sepsis associated acute kidney injury by network pharmacology and molecular docking methods,and to verify this mechanism in vivo.Methods The targets of XP were obtained by Swiss Target Prediction and PharMapper database,GeneCards,DrugBank and OMIM database searched the disease targets of sepsis associated acute kidney injury and the potential targets were obtained after the intersection of the drug targets and disease targets.DAVID platform was used for GO and KEGG enrichment analysis.Cytoscape 3.9.1 software was used to construct the PPI network of the intersection targets.Top ten core targets and XP were selected as receptors and small molecule ligand.Schrödinger software was used for molecular docking between receptors and ligand.Finally,the core targets and related biological pathway were confirmed by experiment.Results A total of 111 targets of XP were obtained for ameliorating sepsis associated acute kidney injury,and the core targets were ALB,Akt1,GAPDH,CASP3,SRC,ESR1,HSP90AA1,HRAS,CCND1,MAPK1.Items were screened by GO enrichment analysis,including 271 biological processes,60 cellular components,and 100 molecular functions.KEGG was enriched to 119 gene pathways.Molecular docking results showed that XP had good affinity with the core targets.Animal experiment showed that XP could significantly alleviate the elevated levels of kidney function and the damage of kidney tissue in rats with sepsis associated acute kidney injury,and its mechanism was related to upregulate p-PI3K and p-Akt expression in kidney.Conclusion XP could alleviate sepsis associated acute kidney injury in rats by activating the PI3K/Akt signaling pathway.
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