化学品甲状腺干扰效应的计算毒理学研究进展  

Progress in computational toxicology for evaluation of thyroid disrupting effects of chemicals

作　　者：杨先海[1,2] 陈景文[1] 李斐[3] 

机构地区：[1]大连理工大学环境学院工业生态与环境工程教育部重点实验室,大连116024 [2]环境保护部南京环境科学研究所,南京210042 [3]中国科学院烟台海岸带研究所,烟台264003

出　　处：《科学通报》2015年第19期1761-1770,共10页Chinese Science Bulletin

基　　金：国家自然科学基金(21325729;21137001)资助

摘　　要：人工合成化学品引发的内分泌干扰效应(如甲状腺干扰效应)引起了全世界的广泛关注.在当前全球市场使用的14万多种人工合成化学品中,仅部分化学品具有内分泌干扰效应信息.由于整体动物实验成本高、耗时长,难以对所有潜在内分泌干扰物(EDCs)进行逐个筛查.因此,需要发展化学品环境内分泌干扰效应的计算毒理学方法,用于筛查潜在EDCs及辅助筛选环境优先污染物.本文总结了化学品甲状腺干扰效应的计算毒理学研究进展,主要包括甲状腺干扰物与甲状腺素受体、甲状腺素运载蛋白、甲状腺素磺酸基转移酶相互作用的分子机制及相应干扰效应的定量构效关系模型研究进展.对基于计算毒理学方法开展甲状腺干扰效应方面的研究进行了展望.There is increasing concern worldwide regarding potential endocrine disrupting effects of anthropogenic chemicals. To date, more than 140000 synthetic chemicals have been used in consumer products; however, information regarding the endocrine disrupting effects of the majority of these compounds is either limited or unavailable. Because of time and cost limitations, in vivo testing of all potential endocrine–disrupting chemicals（EDCs） is unrealistic. Thus, development of computational toxicology-based methods is necessary to test and screen potential EDCs and assist in setting priority pollutants. In this study, the current progress of computational toxicology models on thyroid disrupting effects is reviewed. In this regard, the interaction mechanisms between thyroid-disrupting chemicals（TDCs） and thyroid hormones（THs） receptors, TDCs and THs transport proteins, TDCs and THs sulfotransferase isozymes and the corresponding quantitative structure–activity relationship（QSAR） models are summarized. Finally, further investigations into the computational toxicology of thyroid disrupting effects are discussed.

关 键 词：甲状腺干扰效应 甲状腺干扰物 计算毒理学 分子模拟 定量构效关系 

分 类 号：R114[医药卫生—卫生毒理学] TQ086.51[医药卫生—公共卫生与预防医学]