光谱学与光谱分析 |
|
|
|
|
|
Study on the Interaction of Doxycycline with Human Serum Albumin |
HU Tao-ying1, CHEN Lin3, LIU Ying1,2* |
1. College of Life and Environmental Science, Minzu University of China, Beijing 100081, China 2. Beijing Engineering Research Center of Food Environment and Public Health, Minzu University of China, Beijing 100081, China 3. School of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, China |
|
|
Abstract The present study was designed to investigate the interaction of doxycycline (DC) with human serum albumin (HSA) by the inner filter effects, displacement experiments and molecular docking methods, based on classic multi-spectroscopy. With fluorescence quenching method at 298 and 310 K, the binding constants Ka were determined to be 2.73×105 and 0.74×105 L·mol-1, respectively, and there was one binding site between DC and HSA, indicating that the binding of DC to HSA was strong, and the quenching mechanism was a static quenching. The thermodynamic parameters (enthalpy change, ΔH and enthropy change, ΔS) were calculated to be -83.55 kJ·mol-1 and -176.31 J·mol-1·K-1 via the Vant’ Hoff equation, which indicated that the interaction of DC with HSA was driven mainly by hydrogen bonding and van der Waals forces. Based on the Fster’s theory of non-radiation energy transfer, the specific binding distance between Trp-214 (acceptor) and DC (donor) was 4.98 nm, which was similar to the result confirmed by molecular docking. Through displacement experiments, sub-domain IIA of HSA was assigned to possess the high-affinity binding site of DC. Three-dimensional fluorescence spectra indicated that the binding of DC to HSA induced the conformation change of HSA and increased the disclosure of some part of hydrophobic regions that had been buried before. The results of FTIR spectroscopy showed that DC bound to HSA led to the slight unfolding of the polypeptide chain of HSA. Furthermore, the binding details between DC and HSA were further confirmed by molecular docking methods, which revealed that DC was bound at sub-domain IIA through multiple interactions, such as hydrophobic effect, polar forces and π-π interactions. The experimental results provide theoretical basis and reliable data for the study of the interaction between small drug molecule and human serum albumin.
|
Received: 2013-10-28
Accepted: 2014-01-20
|
|
Corresponding Authors:
LIU Ying
E-mail: liuying4300@163.com
|
|
[1] Zhang Y L, Lu S X, Liu W. Journal of Agricultural and Food Chemistry, 2007, 55(2): 211. [2] Sun H W, He P. Electrophoresis, 2009, 30(11): 1991. [3] Nafisi S, Vishkaee T S. Journal of Photochemistry and Photobiology B: Biology, 2011, 105(1): 34. [4] GUO Qing-lian, LI Ran, JIANG Feng-lei, et al(郭清莲, 李 冉, 蒋风雷, 等). Acta Physico-Chimica Sinica(物理化学学报), 2009, 25(10): 2147. [5] PAN Zu-ting, YU Jun-ping(潘祖亭, 余军平). Journal of Wuhan University·Natural Science Edition(武汉大学学报·理学报), 2003, 49(4): 415. [6] Dong C Y, Ma S Y, Liu Y. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013, 103: 179. [7] Ding F, Liu W, Zhang X, et al. Colloids and Surfaces B: Biointerfaces, 2010, 76(2): 441. [8] Deng F Y, Liu Y. Journal of Luminescence, 2012, 132(2): 443. [9] ZHANG Qiong, SONG Yu-min, LIU Jia-cheng, et al(张 琼, 宋玉民, 刘家成, 等). Chinese Journal of Inorganic Chemistry(无机化学学报), 2011, 27(9): 1772. [10] Shaikh S MT, Ashoka S, Kandagal P B, et al. Dyes and Pigments, 2007, 73(2): 211. [11] Ross D P, Subramanian S. Biochemistry, 1981, 20(11): 3096. [12] Guo X J, Hao A J, Han X W, et al. Molecular Biology Reports, 2011, 38(6): 4185. [13] Naik P N, Chimatadar S A, Nandibewoor S T. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2009, 73(5): 841. |
[1] |
HAN Xue1, 2, LIU Hai1, 2, LIU Jia-wei3, WU Ming-kai1, 2*. Rapid Identification of Inorganic Elements in Understory Soils in
Different Regions of Guizhou Province by X-Ray
Fluorescence Spectrometry[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 225-229. |
[2] |
XU Rong1, AO Dong-mei2*, LI Man-tian1, 2, LIU Sai1, GUO Kun1, HU Ying2, YANG Chun-mei2, XU Chang-qing1. Study on Traditional Chinese Medicine of Lonicera L. Based on Infrared Spectroscopy and Cluster Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3518-3523. |
[3] |
GUO Jing-fang, LIU Li-li*, CHENG Wei-wei, XU Bao-cheng, ZHANG Xiao-dan, YU Ying. Effect of Interaction Between Catechin and Glycosylated Porcine
Hemoglobin on Its Structural and Functional Properties[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3615-3621. |
[4] |
ZHANG Xiao-dan1, 2, LIU Li-li1*, YU Ying1, CHENG Wei-wei1, XU Bao-cheng1, HE Jia-liang1, CHEN Shu-xing1, 2. Activation of Epigallocatechin Gallate on Alcohol Dehydrogenase:
Multispectroscopy and Molecular Docking Methods[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3622-3628. |
[5] |
WANG Peng1, GAO Yong-bao1*, KOU Shao-lei1, MEN Qian-ni1, ZHANG Min1, HE Tao1, YAO Wei2, GAO Rui1, GUO Wen-di1, LIU Chang-rui1. Multi-Objective Optimization of AAS Conditions for Determination of Gold Element Based on Gray Correlation Degree-RSM Model[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3117-3124. |
[6] |
LIU Pan1, 2, 3, DU Mi-fang1*, LI Bin1, LI Jing-bin1, ZENG Lei1, LIU Guo-yuan1, ZHANG Xin-yao1, 4, ZHA Xiao-qin1, 4. Determination of Trace Tellurium Content in Aluminium Alloy by
Inductively Coupled Plasma-Atomic Emission Spectrometry Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3125-3131. |
[7] |
YU De-guan1, CHEN Xu-lei1, WENG Yue-yue2, LIAO Ying-yi3, WANG Chao-jie4*. Computational Analysis of Structural Characteristics and Spectral
Properties of the Non-Prodrug-Type Third-Generation
Cephalosporins[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3211-3222. |
[8] |
LIU Wen-bo, LIU Jin, HAN Tong-shuai*, GE Qing, LIU Rong. Simulation of the Effect of Dermal Thickness on Non-Invasive Blood Glucose Measurement by Near-Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2699-2704. |
[9] |
YANG Jing1, LI Li1, LIANG Jian-dan1, HUANG Shan1, SU Wei1, WEI Ya-shu2, WEI Liang1*, XIAO Qi1*. Study on the Interaction Mechanism Between Thiosemicarbazide Aryl Ruthenium Complexes and Human Serum Albumin[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2761-2767. |
[10] |
WANG Bin1, 2, ZHENG Shao-feng2, GAN Jiu-lin1, LIU Shu3, LI Wei-cai2, YANG Zhong-min1, SONG Wu-yuan4*. Plastic Reference Material (PRM) Combined With Partial Least Square (PLS) in Laser-Induced Breakdown Spectroscopy (LIBS) in the Field of Quantitative Elemental Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 2124-2131. |
[11] |
ZHANG Ye-li1, 2, CHENG Jian-wei3, DONG Xiao-ting2, BIAN Liu-jiao2*. Structural Insight Into Interaction Between Imipenem and Metal β-Lactamase SMB-1 by Spectroscopic Analysis and Molecular Docking[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 2287-2293. |
[12] |
LI Chen-xi1, SUN Ze-yu1, 2, ZHAO Yu2*, YIN Li-hui2, CHEN Wen-liang1, 3, LIU Rong1, 3, XU Ke-xin1, 3. The Research Progress of Two-Dimensional Correlation Spectroscopy and Its Application in Protein Substances Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 1993-2001. |
[13] |
HOU Qian-yi1, 2, DONG Zhuang-zhuang1, 2, YUAN Hong-xia1, 2*, LI Qing-shan1, 2*. A Study of the Mechanism of Binding Between Quercetin and CAV-1 Based on Molecular Simulation, Bio-Layer Interferometry and
Multi-Spectroscopy Methods[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(03): 890-896. |
[14] |
WU Lei1, LI Ling-yun2, PENG Yong-zhen1*. Rapid Determination of Trace Elements in Water by Total Reflection
X-Ray Fluorescence Spectrometry Using Direct Sampling[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(03): 990-996. |
[15] |
LI Wen, CHEN Yin-yin*, LUO Xue-ke, HE Na. Research on Testing NH3-N and COD in Water Quality Based on
Continuous Spectroscopy Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(01): 254-259. |
|
|
|
|