Institutional Repository of Key Laboratory of Coastal Zone Environmental Processes, Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences (KLCEP)
| Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53 | |
Li, Fei1 ; Yang, Xianhai2; Li, Xuehua2; Li, Renmin3; Zhao, Jianmin1; Wu, Huifeng1; Li, F (reprint author), Chinese Acad Sci, Shandong Prov Key Lab Coastal Zone Environm Proc, Key Lab Coastal Zone Environm Proc & Ecol Remedia, Yantai Inst Coastal Zone Res YIC,YICCAS, Yantai 264003, Shandong, Peoples R China. fli@yic.ac.cn; hfwu@yic.ac.cn
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| 发表期刊 | CHEMICAL RESEARCH IN TOXICOLOGY
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| ISSN | 0893-228X |
| 2014-11-01 | |
| 卷号 | 27期号:11页码:1918-1925 |
| 关键词 | Polybrominated Diphenyl Ethers Thyroid-hormone Receptors Structural Requirements Surface Waters In-silico Plasticizers Complex Air Regression Zebrafish |
| DOI | 10.1021/tx5002157 |
| 产权排序 | [Li, Fei; Zhao, Jianmin; Wu, Huifeng] Chinese Acad Sci, Shandong Prov Key Lab Coastal Zone Environm Proc, Key Lab Coastal Zone Environm Proc & Ecol Remedia, Yantai Inst Coastal Zone Res YIC,YICCAS, Yantai 264003, Shandong, Peoples R China; [Yang, Xianhai; Li, Xuehua] Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn MOE, Dalian 116024, Peoples R China; [Li, Renmin] Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Shandong, Peoples R China |
| 作者部门 | 中科院海岸带环境过程与生态修复重点实验室 |
| 英文摘要 | Organophosphate flame retardants (OF'FRs) have caused widespread concern because of the harm to the environment. In this study, to better explain the mechanism the,binding of OPFRs with the tumor suppressor gene p53, and integrated experimental -and in silico approach was used. The binding constants of 10 OPFRs were measured by surface plasmon resonance technology (SPR). The effect of OPFlts on p53 gene and protein expression in ZF4 cells was determined by quantitative real-time cR and Western blotting. Molecular docking and dynamics simulation.were explored to find that the H-bonds and hydrophobic interactions observed interactions, proper structural descriptors were used to build the nantitative structure activity relationship (QSAR) model. The current QSAR Model proyided, robustness, predictive ability, and mechanism interpretability. The pp a domain e QSAR was discussed by the Williams plot. The results showed bondarid electrostatic interaction governed the binding affinities between OPFRs and p53.; Organophosphate flame retardants (OF'FRs) have caused widespread concern because of the harm to the environment. In this study, to better explain the mechanism the,binding of OPFRs with the tumor suppressor gene p53, and integrated experimental -and in silico approach was used. The binding constants of 10 OPFRs were measured by surface plasmon resonance technology (SPR). The effect of OPFlts on p53 gene and protein expression in ZF4 cells was determined by quantitative real-time cR and Western blotting. Molecular docking and dynamics simulation.were explored to find that the H-bonds and hydrophobic interactions observed interactions, proper structural descriptors were used to build the nantitative structure activity relationship (QSAR) model. The current QSAR Model proyided, robustness, predictive ability, and mechanism interpretability. The pp a domain e QSAR was discussed by the Williams plot. The results showed bondarid electrostatic interaction governed the binding affinities between OPFRs and p53. |
| 文章类型 | Article |
| 资助机构 | Pharmacology & Pharmacy ; Chemistry ; Toxicology |
| 收录类别 | SCI |
| 语种 | 英语 |
| 关键词[WOS] | POLYBROMINATED DIPHENYL ETHERS ; THYROID-HORMONE RECEPTORS ; STRUCTURAL REQUIREMENTS ; SURFACE WATERS ; IN-SILICO ; PLASTICIZERS ; COMPLEX ; AIR ; REGRESSION ; ZEBRAFISH |
| 研究领域[WOS] | Pharmacology & Pharmacy ; Chemistry ; Toxicology |
| WOS记录号 | WOS:000345264300003 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.yic.ac.cn/handle/133337/8695 |
| 专题 | 中国科学院海岸带环境过程与生态修复重点实验室 海岸带生物学与生物资源利用重点实验室_海岸带生物学与生物资源保护实验室 |
| 通讯作者 | Li, F (reprint author), Chinese Acad Sci, Shandong Prov Key Lab Coastal Zone Environm Proc, Key Lab Coastal Zone Environm Proc & Ecol Remedia, Yantai Inst Coastal Zone Res YIC,YICCAS, Yantai 264003, Shandong, Peoples R China. fli@yic.ac.cn; hfwu@yic.ac.cn |
| 作者单位 | 1.Chinese Acad Sci, Shandong Prov Key Lab Coastal Zone Environm Proc, Key Lab Coastal Zone Environm Proc & Ecol Remedia, Yantai Inst Coastal Zone Res YIC,YICCAS, Yantai 264003, Shandong, Peoples R China 2.Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn MOE, Dalian 116024, Peoples R China 3.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Shandong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Fei,Yang, Xianhai,Li, Xuehua,et al. Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53[J]. CHEMICAL RESEARCH IN TOXICOLOGY,2014,27(11):1918-1925. |
| APA | Li, Fei.,Yang, Xianhai.,Li, Xuehua.,Li, Renmin.,Zhao, Jianmin.,...&hfwu@yic.ac.cn.(2014).Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53.CHEMICAL RESEARCH IN TOXICOLOGY,27(11),1918-1925. |
| MLA | Li, Fei,et al."Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53".CHEMICAL RESEARCH IN TOXICOLOGY 27.11(2014):1918-1925. |
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