基于反向筛查技术评估麝香草酚对黄曲霉毒素B_(1)致肝细胞毒性的影响

Assessment of the Effect of Thymolon Hepatic Cytotoxicity Induced by Aflatoxin B_(1) Basedon Reverse Screening Technology

本研究利用生物信息学中的反向筛查技术预测了麝香草酚、黄曲霉毒素B1(aflatoxinB_(1),AFB_(1))在人体内的潜在作用靶标,分析了作用靶标的关联性,预测了麝香草酚干涉AFB1致肝细胞毒性的可能性.构建AFB1对人肝癌细胞(humanhepatoma cell,Hepa RG)的毒理学模型,并验证麝香草酚干预AFB1致HepaRG细胞毒性.结果表明,麝香草酚与AFB1在人体中的潜在蛋白作用靶标重合度达96.9%,麝香草酚与P53、CYP3A4、HGras靶标蛋白的结合力较强,这表明麝香草酚对AFB1致肝细胞毒性的活性具有潜在干预作用.细胞实验结果表明,麝香草酚质量浓度30μg/mL时可减缓AFB1引起的HepaRG细胞生长活性下降,因此麝香草酚能够缓解AFB1致肝细胞毒性.该实验结果不仅为麝香草酚在AFB1污染干预领域的应用提供了理论基础,也为生物活性成分的新功能发掘提供了研究思路.

This study used reverse screening technology in bioinformatics to predict the potential targets of thymol and aflatoxin B_(1)(aflatoxin B_(1),AFB_(1))in the human body.analyzed the correlation of the targets,and predicted that thymol interferes with AFB possibility of causing hepatotoxicity.The toxicological model of AFB on HepaRG cells was constructed to verifty that thymol interfered with HepaRG eytotoxicity induced by AFB_(1).The results showed that the coincidence degree between thymol and AFB potential protein in human body reached 96.9%,and the binding force between thymol and P53,CYP3A4,H-ras target protein was strong.which indicated that thymol had a potential intervention on the activity of AFB,induced bepatotoxicity.The results of cell experiments showed that thymol at a mass concentration of 3048/mL can slow down the decline in the growth of HepaRG cell caused by AFB_(1) so thymol can alleviate the hepatotoxicity caused by AFB_(1).The experimental results provide a theoretical basis for the application of thymol in the field of AFB,pollution intervention.and research ideas for the discovery of new funetions of biologically active ingredients.