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Network toxicology and molecular docking for the toxicity analysis of food contaminants: A case of Aflatoxin B1
Food and Chemical Toxicology ( IF 4.3 ) Pub Date : 2024-04-23 , DOI: 10.1016/j.fct.2024.114687
Zi-Yong Chu , Xue-Jiao Zi

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 B(AFB), this study effectively investigated the putative toxicity of food contaminants and the potentially molecular mechanisms. The study found that AFB 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 AFB hepatotoxicity and for the prevention and treatment of cancers caused by the food contaminant AFB. 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.

中文翻译:

食品污染物毒性分析的网络毒理学和分子对接:以黄曲霉毒素B1为例

本研究旨在促进网络毒理学和分子对接策略,以有效评估食品污染物的毒性。本研究以食品污染物黄曲霉毒素B(AFB)引起的肝损伤为例,有效地研究了食品污染物的假定毒性及其潜在的分子机制。研究发现,AFB通过调节AKT1、BCL2、TNF、CASP3、SRC和EGFR等核心靶标来调节多种信号通路。这些通路涵盖癌症通路、PI3K-Akt信号通路、内分泌抵抗、脂质和动脉粥样硬化、细胞凋亡等通路,进而影响免疫毒性、炎症反应、细胞凋亡、细胞遗传学突变,最终导致肝损伤。我们为理解AFB肝毒性的分子机制以及预防和治疗食品污染物AFB引起的癌症提供了理论基础。此外,我们的网络毒理学和分子对接方法也为快速评估食品污染物的毒性提供了有效的方法,有效解决了与使用实验动物相关的成本和伦理问题。
更新日期:2024-04-23
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