Network pharmacology and molecular docking identify mechanisms of medicinal plant-derived 1,2,3,4,6-penta-O-galloyl-beta-D-glucose treating gastric cancer

Background: 1,2,3,4,6-penta-O-galloyl-beta-D-glucose (PGG) is a natural polyphenolic compound derived from multiple medicinal plants with favorable anticancer activity. Methods: In this study, the mechanisms of PGG against gastric cancer were explored through network pharmacology and molecular docking. First, targets searched in Herbal Ingredients’ Targets (HIT), Similarity Ensemble Approach (SEA), Super-PRED databases. The potential related to predicted Human Gene Database (GeneCards) DisGeNET intersecting obtained by Venn diagram then subjected protein-protein interaction analysis screen hub targets. Functional pathway enrichment analyzed Ontology Kyoto Encyclopedia Genes Genomes differential expression survival performed based on Cancer Genome Atlas database. Finally, affinity was visualized Results: Three screened, including mitogen-activated protein kinase 14 (MAPK14), BCL2 like 1 (BCL2L1), vascular endothelial growth factor A (VEGFA). MAPK14 had higher expression, while BCL2L1 VEGFA lower than normal conditions. Enrichment indicated these MAPK, neurotrophin, programmed death-ligand (PD-L1) checkpoint, phosphatidylinositol 3-kinases/protein B (PI3K-Akt), Ras, hypoxia-inducible factor-1 (HIF-1) signaling pathways. Conclusion: Therefore, docking analyses revealed that exerts therapeutic efficacy (MAPK14, BCL2L1, VEGFA) pathways (MAPK, PD-L1 PI3K-Akt, HIF-1 pathways).