In silico技术对三聚氰胺及其类似物的人体暴露风险评价  

In Silico Approach for Risk Assessment of Melamine and Its Analogues Exposure

作　　者：程艳[1] 郑洪艳[1] 白桦[1] 王军兵[1] 董银卯[2] 何聪芬[2] 董益阳[1] 李铭[1] 杨晓冉[1] 任冬梅[1] 邹运动[1] 

机构地区：[1]中国检验检疫科学研究院,北京市100123 [2]北京工商大学北京市植物资源研究开发重点实验室

出　　处：《职业与健康》2009年第3期225-227,共3页Occupation and Health

基　　金："十一五国家科技支撑计划项目"课题9:出入境检验检疫安全储备技术研究(课题编号:2006BAK10B09)

摘　　要：目的将国外先进的in silico技术应用于毒性评价实践中,探讨三聚氰胺及其类似物的毒性作用途径并评价其人体暴露风险。方法采用国外先进的QSAR(quantitative structure activity relationship)测试模块,对三聚氰胺及其类似物的皮肤接触过敏性、人体感觉刺激性以及眼刺激性分别进行了预测和评价,并针对其人体感觉刺激性预测结果,计算三聚氰胺、三聚氰酸和三聚氰酸一酰胺的无可观察效应水平(no-observed-effect-level,NOEL)值。结果皮肤接触过敏性的可能性为环丙氨嗪(灭蝇胺)(97%)>三聚氰胺(80%)>三聚氰酸一酰胺(75%)～三聚氰酸二酰胺(75%)>三聚氰酸(18%)。感觉刺激性的可能性为三聚氰酸(88%)～三聚氰酸一酰胺(88%)>三聚氰胺(22%)～三聚氰酸二酰胺(22%)～环丙氨嗪(灭蝇胺)(22%)。眼刺激性的可能性均为23%左右。针对感觉刺激性作用途径,NOEL值为三聚氰胺(60ppm)>三聚氰酸(2.7ppm)～三聚氰酸一酰胺(2.7ppm)。结论三聚氰胺及其类似物可能存在感觉刺激性和皮肤接触过敏性等作用途径。而且针对感觉刺激性作用途径,三聚氰酸和三聚氰酸一酰胺的NOEL值远低于三聚氰胺,提示其风险较高,需要引起注意。NOEL数值不仅为科学上对三聚氰胺以及类似物进行定量风险评价提供了依据,也为日常工作和生活中对三聚氰胺及其类似物的风险管理和监督控制提供了参考。[Objective] To apply in silico technology to toxicity evaluation practice, discuss toxicological pathway and perform human exposure assessment for melamine and its analogues. [Methods] The probability of allergic contact dermatitis, sensory irritation and eye irritation for melamine and its analogues were predicted and evaluated by QSAR （ Quantitative structure activity relationship） test module. And NOEL （No observed effect level） values of melamine, cyanuric acid and ammelide were calculated from the predicted probability results of sensory irritation. [Results] The probability of the allergic contact dermatitis were cyromazine（ 97% ） 〉 melamine（80%）〉 ammelide（75%） - ammeline（75% ） 〉 cyanuric acid（ 18% ）. The probability of the sensory irritation were cyanuric acid （ 88% ）- ammelide （88%） 〉 melamine （22%）- ammeline （22%） - cyromazine （22%）, and that of the eye irritation were 23% for all five components. For the sensory irritation, the NOEL values were melamine （60 ppm） 〉 cyanuric acid（2.7 ppm）- ammelide（2.7 ppm）. [ Conclusion ] The toxicological mechanism for melamine and its analogues may cause the probability of sensory irritation and allergic contact dermatitis. For sensory irritation, NOEL values of cyanuric acid and ammelide were much lower than melamine, which indicated the higher risk of noteworthiness. The NOEL values provide not only the base for quantitative ＋ risk assessment of melamine and its analogues, but also the reference for risk management and surveillance in daily life.

关 键 词：In silico Melamine:Analogues:Human EXPOSURE RISK Assessment 

分 类 号：R114[医药卫生—卫生毒理学]