Effective Components and Mechanism of Xiaochengqi Decoction in the Treatment of Chronic Kidney Disease Based on Network Pharmacology and Molecular Docking
Objective To explore the effective components and mechanism of Xiaochengqi decoction in the treatment of chronic kidney disease based on network pharmacology and molecular docking.Methods Herb database was used to mine the drug components of Xiaochengqi decoction,Swiss ADME was used to screen potential active ingredients,Swiss Target Predidtion was used to obtain drug target genes,and Cytoscape 3.9.0 software was used to draw a"drug-active ingredient-target"network diagram to screen core components.DrugBank database was used to find the target genes of chronic kidney disease,Venny2.1.0 was used as the"drug-disease"target map,String database was used to obtain the PPI network,and Cytoscape3.9.0 software was used to visualize the network to screen the core targets.DAVID database was used for KEGG pathway enrichment analysis and GO function analysis to predict its possible mechanism of action.Finally,the binding activity and site of receptor and ligand were verified by molecular docking.Results Screening 57 kinds of active ingredients of rhubarb,48 kinds of Fructus Aurantii Immaturus,62 kinds of Magnolia officinalis,a total of 704 drug targets,1074 target genes of chronic kidney disease,169 targets of drug and disease intersection.PPI suggested that AKT1,TNF,VEGFA,MAPK3,HIF1 A,STAT3,CTNNB1,EGFR,PPARG,CASP3 and other targets might be related to the treatment of chronic kidney disease with Xiaochengqi decoction.KEGG analysis showed that lipid and atherosclerosis,P13-Akt signaling pathway,NF-κB signaling pathway may be involved in the process of Xiaochengqi decoction in the treatment of chronic kidney disease.The core components were magnolignan a,magnosalicin,3,4,5-trihydroxybenzoic acid.Molecular docking proved that there was a good docking activity between the core target and the core component.Conclusion Xiaochengqi decoction has the characteristics of multi-component,multi-target and multi-pathway in the treatment of chronic kidney disease,which provides a theoretical basis for Xiaochengqi decoction in the treatment of chronic kidney disease.
万方数据
维普
