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

doi:10.1021/tx5002157

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	Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53
	Li, Fei1 ; Yang, Xianhai 2; Li, Xuehua 2; Li, Renmin3 ; Zhao, Jianmin 1; Wu, Huifeng 1
	2014-11-01
发表期刊	CHEMICAL RESEARCH IN TOXICOLOGY
卷号	27 期号:11 页码:1918-1925
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.
文章类型	Article
WOS标题词	Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences
DOI	10.1021/tx5002157
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研究方向	Pharmacology & Pharmacy ; Chemistry ; Toxicology
WOS类目	Chemistry, Medicinal ; Chemistry, Multidisciplinary ; 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.qibebt.ac.cn/handle/337004/6370
专题	公共实验室
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.