Xiaochaihu Decoction in Diabetic Kidney Disease: A Study based on Network Pharmacology and Molecular Docking Technology

Abstract

Abstract Objective: To explore the potential mechanism of Xiaochaihu decoction (XCHD) in the treatment of diabetic kidney disease (DKD) by network pharmacology and molecular docking technology. Materials and Methods: Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform was used to screen out main active components of XCHD. Gene names of target proteins were obtained with UniProt database. DKD targets were collected by GeneCard database, and common targets were selected through jvenn platform. STRING database was used to construct a protein-protein interaction network. Enrichment analysis was carried out through the Metascape platform. The “drug-component-target” and “component-target-KEGG pathway” networks were constructed using Cytoscape software. Molecular docking analysis was carried out with AutoDockTool software. Results: A total of 195 active components were obtained for XCHD. There were 238 corresponding targets and 128 common targets associated with DKD, and the core targets involved IL6, AKT1, VEGFA, TNF, TP53, PTGS2, and JUN. Gene ontology enrichment analysis revealed 2242 entries for biological processes, 82 entries for cellular components, and 166 items of molecular functions. A total of 333 signal pathways were screened by KEGG pathway enrichment analysis. Molecular docking showed that quercetin, baicalin, luteolin, and wogonin were tightly bound to the key target proteins of PTGS2 and AKT1. Conclusions: 195 active components were screened from XCHD, among which 128 intersections with DKD were identified, and 333 signaling pathways were identified by KEGG pathway enrichment analysis. The key active components in XCHD, such as quercetin, baicalin, luteolin and wogonin, regulate multiple signaling pathways by acting on PTGS2, AKT1 and other targets, for anti-inflammatory, antioxidant, regulating cell factors, improving insulin resistance, and protecting renal function. This study provides a more in-depth scientific basis and research direction for the investigation on XCHD treatment of DKD.