Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53
文献类型：期刊论文
| 作者 | Li, Fei1 ; Yang, Xianhai2; Li, Xuehua2; Li, Renmin3; Zhao, Jianmin1; Wu, Huifeng1
|
| 刊名 | CHEMICAL RESEARCH IN TOXICOLOGY
 |
| 出版日期 | 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 |
| ISSN号 | 0893-228X |
| 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 |
| 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 |
| 中文摘要 | 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. |
| 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. |
| 学科主题 | Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology |
| 研究领域[WOS] | Pharmacology & Pharmacy ; Chemistry ; Toxicology |
| 关键词[WOS] | POLYBROMINATED DIPHENYL ETHERS ; THYROID-HORMONE RECEPTORS ; STRUCTURAL REQUIREMENTS ; SURFACE WATERS ; IN-SILICO ; PLASTICIZERS ; COMPLEX ; AIR ; REGRESSION ; ZEBRAFISH |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000345264300003 |
| 源URL | [http://ir.yic.ac.cn/handle/133337/8695]  |
| 专题 | 烟台海岸带研究所_中科院海岸带环境过程与生态修复重点实验室 烟台海岸带研究所_海岸带生物学与生物资源利用所重点实验室 |
| 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,&Wu, Huifeng.(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. |
入库方式： OAI收割
来源：烟台海岸带研究所
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