中文摘要：

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.

英文摘要：

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.