Network toxicology and molecular docking for the toxicity analysis of food contaminants: A case of Aflatoxin B1

Abstract

The present study aims to promote network toxicology and molecular docking strategies for the efficient evaluation of the toxicity of food contaminants. With the example of liver injury induced by the food contaminant Aflatoxin B₁(AFB₁), this study effectively investigated the putative toxicity of food contaminants and the potentially molecular mechanisms. The study found that AFB₁ regulates multiple signalling pathways by modulating core targets such as AKT1, BCL2, TNF, CASP3, SRC and EGFR. These pathways encompass Pathways in cancer, PI3K-Akt signalling pathway, Endocrine resistance, Lipid and atherosclerosis, Apoptosis and other pathways, subsequently impacting immunotoxicity, inflammatory responses, apoptosis, cytogenetic mutations, and ultimately leading to liver injury. We provide a theoretical basis for understanding the molecular mechanisms of AFB₁ hepatotoxicity and for the prevention and treatment of cancers caused by the food contaminant AFB₁. Furthermore, our network toxicology and molecular docking methods also provide an effective method for the rapid evaluation of the toxicity of food contaminants, which effectively solves the cost and ethical problems associated with the use of experimental animals.

Keywords: Aflatoxin B(1); Food contaminants; Food safety; Liver injury; Molecular docking; Network toxicology.