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题名: Structure-Based Investigation on the Binding and Activation of Typical Pesticides With Thyroid Receptor
作者: Xiang, Dandan1; Han, Jian2; Yao, Tingting1; Wang, Qiangwei1; Zhou, Bingsheng3; Mohamed, Abou Donia4; Zhu, Guonian1
关键词: pesticides ; thyroid receptor ; ligand binding assay ; surface plasmon resonance ; molecular docking
刊名: TOXICOLOGICAL SCIENCES
发表日期: 2017-12-01
DOI: 10.1093/toxsci/kfx177
卷: 160, 期:2, 页:205-216
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ; Life Sciences & Biomedicine
类目[WOS]: Toxicology
研究领域[WOS]: Toxicology
英文摘要: A broad range of pesticides have been reported to interfere with the normal function of the thyroid endocrine system. However, the precise mechanism(s) of action has not yet been thoroughly elucidated. In this study, 21 pesticides were assessed for their binding interactions and the potential to disrupt thyroid homeostasis. In the GH3 luciferase reporter gene assays, 5 of the pesticides tested had agonistic effects in the order of procymidone > imidacloprid > mancozeb > fluroxypyr > atrazine. 11 pesticides inhibited luciferase activity of T3 to varying degrees, demonstrating their antagonistic activity. And there are 4 pesticides showed mixed effects when treated with different concentrations. Surface plasmon resonance (SPR) biosensor technique was used to directly measure the binding interactions of these pesticides to the human thyroid hormone receptor (hTR). 13 pesticides were observed to bind directly with TR, with a KD ranging from 4.80E-08 M to 9.44E-07 M. The association and disassociation of the hTR/pesticide complex revealed 2 distinctive binding modes between the agonists and antagonists. At the same time, a different binding mode was displayed by the pesticides showed mix agonist and antagonist activity. In addition, the molecular docking simulation analyses indicated that the interaction energy calculated by CDOCKER for the agonists and antagonists correlated well with the KD values measured by the surface plasmon resonance assay. These results help to explain the differences of the TR activities of these tested pesticides.
关键词[WOS]: ENDOCRINE DISRUPTING CHEMICALS ; SURFACE-PLASMON RESONANCE ; CURRENTLY USED PESTICIDES ; IN-VITRO ; PYRETHROID INSECTICIDES ; ENVIRONMENTAL CHEMICALS ; HORMONE RECEPTORS ; STABLY EXPRESSES ; CELL-LINE ; REPORTER
语种: 英语
项目资助者: China Postdoctoral Science Foundation(517000-X91605)
WOS记录号: WOS:000416627400003
ISSN号: 1096-6080
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内容类型: 期刊论文
URI标识: http://ir.ihb.ac.cn/handle/342005/43582
Appears in Collections:其他_期刊论文

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作者单位: 1.Zhejiang Univ, Inst Pesticide & Environm Toxicol, 866 Yu Hang Tang Rd, Hangzhou 310058, Zhejiang, Peoples R China
2.Chinese Acad Sci, Inst Hydrobiol, State Key Lab Freshwater Ecol & Biotechnol, Wuhan 430072, Hubei, Peoples R China
3.Shandong Acad Sci, Biol Inst, Jinan 250014, Shandong, Peoples R China
4.Duke Univ, Dept Pharmacol & Canc Biol, Durham, NC 27710 USA
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