Exploring the Mechanism of Active Components from Ginseng to Improve Diabetes Based on Network Pharmacology and Molecular Docking

Abstract

This study systematically explored the underlying mechanism of ginseng's active ingredients in improving diabetes through network pharmacology combing with molecular docking technology. In this work, we retrieved and screened active compounds of ginseng and corresponding diabetes targets across multiple databases. PPI networks of the genes were constructed using STRING, and the core targets were screened out through topological analysis. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed by using the R language. Finally, molecular docking was performed after bioinformatics analysis for verification. Our research results showed that 28 ginsenosides in ginseng might be against diabetes by modulating related proteins such as VEGFA, Caspase 3, and TNF. Among the 28 ginsenosides, 20(R)-Protopanaxatriol (PPT), (20R)-Protopanaxadiol (PPD), and Ginsenoside Rg1 (Rg1) might play a significant role. KEGG and GO enrichment analysis showed that the improvement of diabetes by ginsenosides may be related to the positive regulation of reactive oxygen metabolic processes, associated with the insulin signaling pathway, TNF signaling pathway, and AMPK signaling pathway. Molecular docking results showed that all ginsenosides could stably bind to the core target, mainly hydrogen bonding. This study suggests the improvement of ginseng on diabetes. We believe that our results can contribute to the systematic study of the mechanism of ginsenosides in improving diabetes. At the same time, it can provide a theoretical basis for subsequent studies on the improvement of ginsenosides in diabetes.