Exploring mechanism of Mongolian medicine Deduhonghua-7 powder in alleviating AFB1-induced liver injury based on network pharmacology

LI Yali; MAO Jingdong; CUI Yilong

doi:10.13557/j.cnki.issn1002-2813.2025.18.016

Abstract：The experiment was based on network pharmacology and molecular docking analysis,combined with experimental verification methods,to explore the potential mechanism by which Deduhonghua-7 powder alleviates liver damage caused by aflatoxin B1(AFB1).Active components and targets of Deduhonghua-7 powder were screened using the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP).Targets related to AFB1-induced liver injury were obtained from GeneCards and OMIM databases.A protein-protein interaction(PPI)network was constructed using STRING database.Gene ontology(GO)functional annotation and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were performed using the DAVID database.Molecular docking was verified using AutoDock and PyMOL.The results showed that the core active components of Deduhonghua-7 powder included quercetin,kaempferol,β-sitosterol,etc.Key targets included albumin(ALB),tumor protein p53(TP53),cytochrome P4501A1(CYP1A1),etc.KEGG pathway analysis revealed that Deduhonghua-7 powder alleviated AFB1-induced liver injury by modulating pathways such as chemical carcinogenesis-receptor activation,cytochrome P450(CYP450)-mediated xenobiotic metabolism,and oxidative stress.Molecular docking results showed stable binding between components like quercetin and targets including TP53,CYP1A1,and glutathione S-transferase P1(GSTP1).The study indicates that Deduhonghua-7 powder may mitigate liver injury by regulating the expression of TP53,CYP1A1,and GSTP1 through active components such as quercetin,kaempferol,thereby influencing AFB1 metabolism,oxidative stress,and apoptosis-related pathways.