Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53

CORC > 烟台海岸带研究所 > 中国科学院烟台海岸带研究所 > 中科院海岸带环境过程与生态修复重点实验室

	Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53
	Li, Fei1 ; Yang, Xianhai 2; Li, Xuehua 2; Li, Renmin 3; Zhao, Jianmin1 ; Wu, Huifeng1
刊名	CHEMICAL RESEARCH IN TOXICOLOGY
	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
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
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
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
内容类型	期刊论文
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.