中国科学院机构知识库网格系统: 典型持久性有机污染物与抑癌基因相互作用的分子模拟与验证

典型持久性有机污染物与抑癌基因相互作用的分子模拟与验证

文献类型：期刊论文


作者	吴惠丰; 曹璐璐 ; 李斐 ; 李雪花 ; 赵建民
刊名	科学通报
出版日期	2015-07-10
卷号	60 期号:19 页码:1804-1809
关键词	持久性有机污染物 2,2',4,4'-四溴联苯醚(BDE-47) p53 分子模拟光谱法
ISSN号	0023-074X
其他题名	Molecular simulation and validation of the interaction between typical persistent organic pollutants and a tumor suppressor gene
产权排序	中国科学院烟台海岸带研究所中国科学院环境过程与生态修复重点实验室;中国科学院大学;大连理工大学环境学院工业生态与环境工程教育部重点实验室;
中文摘要	化学品的环境污染问题给人类带来了惨痛的教训.对化学品进行生态风险评价,是预防和控制其污染的前提.发展计算(预测)毒理学方法,可以高效地评价和预测化学物质的环境暴露、危害性和风险性.本研究采用分子模拟与光谱实验(紫外-可见吸收光谱、荧光光谱及熔点实验)相结合的方法,研究了典型持久性有机污染物2,2',4,4'-四溴联苯醚(BDE-47)与抑癌基因p53启动子区域片段(p53-DNA)的相互作用机制.分子模拟的结果显示,BDE-47以部分嵌插和沟槽结合的形式与p53-DNA相互作用.光谱实验验证了分子模拟的结果:BDE-47与p53-DNA发生增色效应,同时BDE-47的加入使EB-p53-DNA...
英文摘要	Synthetic organic chemical pollutants are a serious problem to human welfare and the environment. Ecological risk assessment of synthetic organic compounds offers a precautionary approach that assesses the potential danger of these pollutants. The development of a computational toxicology model based on the mechanism should be able to predict the risks of chemicals efficiently and prioritize pollutants. Molecular simulations and spectroscopic techniques were used to study the interaction between 2,2’,4,4’-tetrabromodiphenyl ether(BDE-47) and the promoter region segment of the p53 gene(p53-DNA). The spectroscopic methods included ultraviolet-visible absorption spectrophotometry, fluorescence spectroscopy using ethidium bromide(EB) as the fluorescent probe, and measurement of the melting point. As revealed by molecular docking, BDE-47 intercalated partially with p53-DNA, and π–π and groove binding interactions between BDE-47 and p53-DNA were observed. Spectroscopic results showed that as the concentration of BDE-47 increased, p53-DNA produced a hyperchromic effect and the fluorescence system of EB-p53-DNA had a static quenching effect. This suggests that the binding mode of BDE-47 with p53-DNA involved partial intercalation accompanied by groove binding interactions. Thus, the spectroscopic results are congruent with the molecular simulations. The binding constant was calculated to be 7.24 × 103 L/mol. The mechanism of the interaction between BDE-47 and p53-DNA was elucidated at atomic resolution, which provides the molecular basis for risk screening and management of chemicals.
收录类别	CSCD
语种	中文
CSCD记录号	CSCD:5485198
源URL	[http://ir.yic.ac.cn/handle/133337/17363]
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.中国科学院烟台海岸带研究所中国科学院环境过程与生态修复重点实验室 2.中国科学院大学 3.大连理工大学环境学院工业生态与环境工程教育部重点实验室
推荐引用方式 GB/T 7714	吴惠丰,曹璐璐,李斐,等. 典型持久性有机污染物与抑癌基因相互作用的分子模拟与验证[J]. 科学通报,2015,60(19):1804-1809.
APA	吴惠丰,曹璐璐,李斐,李雪花,&赵建民.(2015).典型持久性有机污染物与抑癌基因相互作用的分子模拟与验证.科学通报,60(19),1804-1809.
MLA	吴惠丰,et al."典型持久性有机污染物与抑癌基因相互作用的分子模拟与验证".科学通报 60.19(2015):1804-1809.

入库方式： OAI收割

来源：烟台海岸带研究所

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典型持久性有机污染物与抑癌基因相互作用的分子模拟与验证

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