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

CORC > 青岛生物能源与过程研究所 > 中国科学院青岛生物能源与过程研究所 > 条件保障部公共实验室

	Determination and Prediction of the Binding Interaction between Organophosphate Flame Retardants and p53
	Li, Fei 1; Yang, Xianhai 2; Li, Xuehua 2; Li, Renmin 3; Zhao, Jianmin 1; Wu, Huifeng 1
刊名	CHEMICAL RESEARCH IN TOXICOLOGY
	2014-11-01
卷号	27 期号:11 页码:1918-1925
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.
WOS标题词	Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences
类目[WOS]	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
公开日期	2015-12-24
内容类型	期刊论文
源URL	[http://ir.qibebt.ac.cn/handle/337004/6370]
专题	青岛生物能源与过程研究所_条件保障部公共实验室
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.