Study on the Interaction of Tetra-Brominated Diphenyl Ethers (BDE47) with Lysozyme
YANG Lu-lu, YANG Wu, YI Zhong-sheng*, ZHAO Sai, DUAN Jia-xi
Guangxi Colleges and Universities Key Laboratory of Food Safety and Detection, Collaborative Innovation Center for Water Pollution Control and Water Safety in Karst Area, College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004, China
Abstract:The binding of BDE47 to lysozyme was investigated by molecular modeling combined with three-dimensional (3D) fluorescence, circular dichroism (CD) techniques, fluorescence spectroscopy, and time-resolved fluorescence decay under simulative physiological conditions. The results indicated that the quenching reaction of BDE47 to lysozyme was observed, and the quenching mechanism was suggested as static quenching. Molecular docking showed that the amino acid residues, TRP62, TRP63, ARG61, ASN59, ALA107, ILE98 in lysozyme have interactions with BDE47. The hydrogen bonds were formed between the O atom of BDE47 and TRP62 with the distances of 2.2 Å. The 3D fluorescence experiments showed that the fluorescence intensity of lysozyme gradually decreased in the presence of BDE47 and a red shifted was observed, suggesting that the microenvironment around the TRP-residues of lysozyme has changed during the binding process. Furthermore, CD spectra implied that the interaction of BDE47 with lysozyme induced conformational change of lysozyme, and the content of α-helix structures in lysozyme decreased. The binding distance r between the donor (lysozyme) and acceptor (BDE47) calculated using Förster’s nonradiative energy transfer theory was 3.31 nm, indicating a high probability of energy transfer from lysozyme to BDE47. The thermodynamic parameters at different temperatures indicated that the hydrogen bonds and van der Waals forces played a predominant role in the spontaneous binding process. The results were consistent with the molecular docking and binding free energy analysis.
杨露露,杨 雾,易忠胜,赵 赛,段家喜. 四溴联苯醚(BDE47)与溶菌酶的相互作用研究[J]. 光谱学与光谱分析, 2019, 39(11): 3614-3618.
YANG Lu-lu, YANG Wu, YI Zhong-sheng, ZHAO Sai, DUAN Jia-xi. Study on the Interaction of Tetra-Brominated Diphenyl Ethers (BDE47) with Lysozyme. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(11): 3614-3618.
[1] LIU Han-xia, ZHANG Qing-hua, JIANG Gui-bin(刘汉霞, 张庆华, 江桂斌). Progress in Chemistry(化学进展), 2005, 17(3): 554.
[2] Hu X N, Zhang J Q, Jiang Y S, et al. Toxicol. Vitro., 2014, 28(8): 1377.
[3] Meironyté G D, Bergman Å, Norén K. Arch. Environ. Contam. Toxicol., 2001, 40(4): 564.
[4] WAN Bin, GUO Liang-hong(万 斌, 郭良宏). Environmental Chemistry(环境化学), 2011, 30(1): 143.
[5] Sara J L, Barbara P M, James R O, et al. Chem. Res. Toxicol., 2009, 22: 1802.
[6] Wu D, Yan J, Tang P X, et al. Food Chem., 2015, 188: 370.
[7] Jeffrey S N, John J R, Bruce S Z. Cancer Res., 1981, 4: 1642.
[8] Roy A S, Ghosh P. J. Incl. Phenom. Macrocycl. Chem., 2016, 84: 21.
[9] Wang Q, Ma X L, He J W, et al. Spectrochim. Acta Pt. A-Molec. Biomolec. Spectr., 2016, 153: 612.
[10] Paramaguru G, Kathiravan A, Selvaraj S, et al. J. Hazard. Mater., 2010, 175: 985.
[11] Peng W, Ding F, Peng Y K, et al. J. Agric. Food Chem., 2013, 61(50): 12415.
[12] Chakraborti S, Chatterjee T, Joshi P, et al. Langmuir, 2010, 26(5): 3506.
[13] Revathi R, Rameshkumar A, Sivasudha T. Spectrochim. Acta Pt. A-Molec. Biomolec. Spectr., 2016, 152: 192.
[14] HU Guo-dong, ZHANG Shao-long, ZHANG Qing-gang(扈国栋, 张少龙, 张庆刚). Acta Chim. Sinica(化学学报), 2009, 67(9): 1019.
[15] Zhang L, Sun Y. Langmuir, 2014, 30(16): 4725.
[16] HU Jian-ping, SUN Ting-guang, CHEN Wei-zu, et al(胡建平, 孙庭广, 陈慰祖, 等). Acta Chim. Sinica(化学学报), 2006, 64(20): 2079.
[17] Yue Y, Liu J, Yao M, et al. Spectrochim. Acta Pt. A-Molec. Biomolec. Spectr., 2012, 96: 316.
[18] GUO Qing-lian, PAN Ling-li, YANG Li-yun, et al(郭清莲, 潘凌立, 杨立云, 等). Acta Phys.-Chim. Sin.(物理化学学报), 2016, 32(1): 274.
[19] Greenfield N, Fasman G D. Biochemistry, 1969, 8(10): 4108.
[20] Ma F, Huang H Y, Zhou L, et al. Spectrochim. Acta Pt. A-Molec. Biomolec. Spectr., 2012, 97: 1159.
[21] Ross P D, Subramanian S. Biochemistry, 1981, 20: 3096.