Mechanism Study on the Interaction Between 2 '-Hydroxy-2,4-dibromo Diphenyl Ethers and Human Serum Albumin Based on Spectroscopic Methods and Computional Simulations
文献类型：期刊论文
| 作者 | Dong Lu; Yi Zhongsheng; Wu Zhiwei; Wang Haiyang; Zhang Aiqian |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2015-03-10 |
| 卷号 | 36期号:3页码:516-522 |
| 关键词 | Human serum albumin 2 '-Hydroxy-2 Fluorescence spectrum Molecular docking Molecular dynamics simulation 4-dibromo diphenyl ether (2 '-OH-BDE-7) |
| 英文摘要 | The interaction between 2'-hydroxy-2,4-dibromo diphenyl ethers (2'-OH-BDE-7) and human serum albumin (HSA) was investigated with molecular docking, molecular dynamics simulation and spectroscopy techniques. The results of synchronous fluorescence spectroscopy indicated that the conformation of HSA was changed when 2'-OH-BDE-7 binding to HSA, which consistent with the results of molecular dynamics simulations. In addition, the results of fluorescence spectroscopy experiment showed that the intrinsic fluorescence quenching of HSA was reduced by 2'-OOH-BDE-7. Static quenching and non-radiation energy transfer are the two main reasons leading to the fluorescence quenching of HSA by 2'-OH-BDE-7. In the process of binding, the entropy, the enthalpy and the Gibbs free energy were negative, which suggested that the interaction between 2'-OH-BDE-7 and HSA was driven mainly by hydrophobic forces and van de Waals forces. Finally, a similar conclusion was obtained from the competitive experiment and molecular docking, which shown 2'-OH-BDE-7 binded human serum albumin at site I. Excellent agreement was founded between computer simulations results and spectral experiments to provide more information for the mechanism study on the interaction between 2'-OH-BDE-7 and HSA. |
| 研究领域[WOS] | Chemistry, Multidisciplinary |
| WOS记录号 | WOS:000350902800017 |
| 公开日期 | 2016-03-15 |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/32616]  |
| 专题 | 生态环境研究中心_环境化学与生态毒理学国家重点实验室 |
| 推荐引用方式 GB/T 7714 | Dong Lu,Yi Zhongsheng,Wu Zhiwei,et al. Mechanism Study on the Interaction Between 2 '-Hydroxy-2,4-dibromo Diphenyl Ethers and Human Serum Albumin Based on Spectroscopic Methods and Computional Simulations[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2015,36(3):516-522. |
| APA | Dong Lu,Yi Zhongsheng,Wu Zhiwei,Wang Haiyang,&Zhang Aiqian.(2015).Mechanism Study on the Interaction Between 2 '-Hydroxy-2,4-dibromo Diphenyl Ethers and Human Serum Albumin Based on Spectroscopic Methods and Computional Simulations.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,36(3),516-522. |
| MLA | Dong Lu,et al."Mechanism Study on the Interaction Between 2 '-Hydroxy-2,4-dibromo Diphenyl Ethers and Human Serum Albumin Based on Spectroscopic Methods and Computional Simulations".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 36.3(2015):516-522. |
入库方式： OAI收割
来源：生态环境研究中心
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