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| Study on the Binding Characteristics of 5′-Hydroxy-2,2′,4,4′,5-pentabromo Diphenyl Ether and Human Serum Albumin |
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| DOI： |
| KeyWord:polybrominated diphenyl ethers human serum albumin（HSA） fluorescence spectroscopy molecular docking dynamic simulation |
| Author | Institution |
| YANG Wu,YANG Lu-lu,WU Zhi-wei,YI Zhong-sheng* |
广西高校食品安全与检测重点实验室，岩溶地区水污染控制与用水安全保障协同创新中心，桂林理工大学化学与生物工程学院 |
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| Abstract: |
| The primary objective of this study is to evaluate the binding characteristics of human serum albumin（HSA） and 5′-hydroxy-2,2′,4,4′,5-pentabromo diphenyl ether（5′-OH-BDE-99） in physiological conditions.Several spectroscopy techniques such as steady-state fluorescence spectroscopy,time-resolved fluorescence,FTIR and three-dimensional fluorescence spectrometry, combined with molecular docking and molecular dynamics simulation were employed to comprehensively analyze the mechanism of interaction between 5′-OH-BDE-99 and HSA.The results of fluorescence spectroscopy experiments,non-radiation energy transfer theory and dynamic simulation showed that 5′-OH-BDE-99 could quench the intrinsic fluorescence of HSA through static quenching mechanism.The experiments of FTIR,three-dimensional fluorescence spectra and dynamic simulation revealed that the binding of 5′-OH-BDE-99 to HSA could induce conformational and microenvironmental changes.Moreover,according to molecular docking and thermodynamic method,hydrophobic force is the main acting force. |
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