Yue Yuanyuan, Sun Yangyang, Yan Xuyang, Liu Jianming, Zhao Shufang, Zhang Jia
Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China; Henan Key Laboratory of Green Chemical Media and Reactions, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China.
Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China.
Chemosphere. 2016 Oct;161:475-481. doi: 10.1016/j.chemosphere.2016.07.047. Epub 2016 Jul 25.
In this paper, we investigated the binding mode of perfluorooctanoic acid (PFOA) and perfluorononanoic acid (PFNA) to pepsin using spectroscopies and molecular docking methods. Fluorescence quenching study indicated that their different ability to bind with pepsin. Meanwhile, time-resolved fluorescence measurements established that PFOA and PFNA quenched the fluorescence intensity of pepsin through the mechanism of static quenching. The thermodynamic parameters showed that hydrophobic forces were the main interactions. Furthermore, UV-vis, FTIR, three-dimensional fluorescence and molecular docking result indicated that PFCs impact the conformation of pepsin and PFOA was more toxic than PFNA. The conformational transformation of PFOA/PFNA-pepsin was confirmed through the quantitative analysis of the CD spectra. The present studies offer the theory evidence to analyze environmental safety and biosecurity of PFCs on proteases.
在本文中，我们使用光谱学和分子对接方法研究了全氟辛酸（PFOA）和全氟壬酸（PFNA）与胃蛋白酶的结合模式。荧光猝灭研究表明它们与胃蛋白酶结合的能力不同。同时，时间分辨荧光测量结果表明，PFOA和PFNA通过静态猝灭机制猝灭了胃蛋白酶的荧光强度。热力学参数表明，疏水作用力是主要的相互作用。此外，紫外可见光谱、傅里叶变换红外光谱、三维荧光光谱和分子对接结果表明，全氟化合物会影响胃蛋白酶的构象，且PFOA比PFNA毒性更强。通过圆二色光谱的定量分析证实了PFOA/PFNA-胃蛋白酶的构象转变。本研究为分析全氟化合物对蛋白酶的环境安全性和生物安全性提供了理论依据。
