应用Discovery Studio(TOPKAT)软件预测糖抑制PhIP过程中新产物的毒理学性质
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国家自然科学基金重点项目(31430068)


Prediction of Toxicological Properties of New Products in Sugar Inhibition of PhIP by Discovery Studio (TOPKAT)
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    摘要:

    通过Discovery Studio(TOPKAT)毒性预测软件对糖抑制PhIP形成途径中新产物的毒理学特性进行分析,为全面评价杂环胺减控后的食品安全性提供基础数据。结果显示,在致突变性和皮肤致敏性评价中,α-二羰基化合物与肌酐/PhIP的反应产物毒性与PhIP相比均无显著变化。在潜在发育毒性评价中,α-二羰基化合物与肌酐反应产物的毒性与PhIP相比增强,而α-二羰基化合物与PhIP反应产物的毒性与PhIP相比没有变化。在大鼠口服LD50和长期口服最低毒副反应水平评价中,α-二羰基化合物与肌酐的大多数反应产物的毒性均比PhIP强,而α-二羰基化合物与PhIP反应产物的毒性比PhIP弱。在大鼠吸入LC50评价中,α-二羰基化合物与肌酐/PhIP大部分反应产物的毒性均比PhIP强。由此可见,α-二羰基化合物与肌酐和PhIP反应产物的形成均会使它们的毒性发生改变。

    Abstract:

    The toxicological properties of the new products in the pathway of sugar inhibition of PhIP was investigated by Discovery Studio(TOPKAT) toxicity prediction software, providing basic data for the comprehensive evaluation of food safety after reduction of heterocyclic aromatic amines. The results showed that the toxicity of the reaction products of α-dicarbonyl compounds with creatinine/PhIP did not change compared with PhIP in the mutagenicity (Ames test) and skin sensitization assessment. In the assessment of developmental toxicity potential (DTP), the toxicity of the reaction product of α-dicarbonyl compound with creatinine was enhanced compared with that of PhIP, while toxicity of α-dicarbonyl compound and PhIP reaction product did not change compared with that of PhIP. In the rat oral LD50 and rat chronic oral LOAEL toxicity level assessment, the majority of the reaction products of α-dicarbonyl compounds and creatinine showed greater toxicity than PhIP, whereas toxicity of α-dicarbonyl compounds and PhIP reaction products was weaker than that of PhIP. In rat inhalation LC50 assessment, the most of the reaction products of α-dicarbonyl compounds and creatinine/PhIP showed stronger toxicity than PhIP. Thus, the formation of α-dicarbonyl compounds and creatinine/PhIP reaction products have altered their toxicity.

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韩中惠;王晓敏;张燕;刘冰;王硕.应用Discovery Studio(TOPKAT)软件预测糖抑制PhIP过程中新产物的毒理学性质[J].中国食品学报,2020,20(10):247-253

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  • 在线发布日期: 2020-11-11
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