|
|
|
|
|
|
| Studies on the Interaction between Leucomalachite Green with Bovine Serum Albumin by MCR-ALS and Molecular Docking |
| ZHANG Qiu-lan1,2, XIE Li-xin3, YANG Lin-hui3, TUO Xun2, NI Yong-nian1,2* |
1. The State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047, China
2. Department of Chemistry, Nanchang University, Nanchang 330031, China
3. College of Pharmacy, Nanchang University, Nanchang 330031, China |
|
|
|
|
Abstract Leucomalachite Green (LMG) is a major metabolite of malachite green (MG). It has a long residence period in edible fish tissues. At present, the use of MG has been banned in some countries for its increased risk of carcinogenesis, mutagenesis and other adverse effects to human health. However, MG is still widely used in aquaculture, aquatic transport and storage for its low price. The interaction between LMG and bovine serum albumin (BSA) under simulative physiological conditions was investigated by spectroscopy. Two spectroscopic approaches (fluorescence and circular dichroism) and two different experiments were used for monitoring the biological dynamic process. Qualitative and quantitative information was obtained with the resolution of the data matrices by chemometrics method - multivariate curve resolution-alternating least squares (MCR-ALS). Atomic force microscope (AFM) was executed in order to verdict the particle morphology and dimensions of the LMG-BSA conjugates. The root mean square (RMS) roughness of the individual BSA molecule was found to be (1.24±0.28) nm. The BSA molecule particle was observed to be looser on the mica substrate upon interaction with LMG. The RMS was changed to be (13.47±0.53) nm for the LMG-BSA interaction. The calculated result of circular dichroism (CD) spectra revealed that the α-helical content for the LMG-BSA complex was 42.5%, which has a slight decrease compared with the free BSA (46.3%). The results of AFM and CD spectra showed that the binding of LMG to BSA induced micro-environmental and conformational changes of BSA molecules. In order to identify the LMG-binding site on BSA, site marker competitive experiments were carried out, using drugs which were specifically bound to site Ⅰ (warfarin) and site Ⅱ (ibuprofen) on BSA. The binding constant of the system with warfarin (1.88×106 L·mol-1) was almost 70% of that without warfarin (2.65×106 L·mol-1), while the constants of the systems with and without ibuprofen had only a small difference, indicating that LMG was bound to site Ⅰ of BSA. The molecular docking gave more intuitive understanding of the binding of LMG and BSA. It was recognized that LMG binds within the sub-domain ⅡA pocket in domain Ⅱ of BSA. These values showed that hydrophobic forces were the main interactions in the binding of LMG to BSA and the stabilization of the complex. It can be expected that the study will have great significance in helping to further clarify the metabolism and distribution of LMG in vivo and the mechanism of toxicological effects and pharmacokinetics from molecular level.
|
|
Received: 2017-12-27
Accepted: 2018-04-25
|
|
|
|
Corresponding Authors:
NI Yong-nian
E-mail: ynni@ncu.edu.cn
|
|
[1] Yang J, Lin Z Z, Zhong H P, et al. Sensors and Actuators B-Chemical, 2017, 252: 561.
[2] Zhang Y Y, Yu W S, Pei L, et al. Food Chemistry, 2015, 169: 80.
[3] Wei S C, Fan S, Lien C W, et al. Analytical Chimica Acta, 2018, 1003: 42.
[4] Xu K X, Guo M H, Huang Y P, et al. Talanta, 2018, 180: 383.
[5] Shalaby A R, Eman W H, Anwar M M. Food Chemistry, 2017, 226: 8.
[6] Wang Q, Huang C R, Jiang M, et al. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2016, 156: 155.
[7] Jahanban-Esfahlan A, Panahi-Azar V. Food Chemistry, 2016, 202: 426.
[8] Zeng X D, Zhu L, Zhang F S, et al. Journal of Luminescence, 2013, 138: 44.
[9] Shen G F, Liu T T, Wang Q, et al. Journal of Photochemistry & Photobiology, B: Biology, 2015, 153: 380.
[10] Ortiz-Villanueva E, Benavente F, Pina B, et al. Analytica Chimica Acta, 2017, 978: 10.
[11] Ahmadi G, Tauler R, Abdollahi H. Chemometrics and Intelligent Laboratory Systems, 2015, 142: 143.
[12] Hu T Y, Liu Y. Journal of Pharmaceutical and Biomedical Analysis, 2015, 107: 325.
[13] Kumar K. Journal of Fluorescence, 2017, 27(6): 1957.
[14] Acuna S M, Bastias J M, Toledo P G. Plus One, 2017, 12: e0173910.
[15] Shi J H, Pan D Q, Jiang M, et al. Journal of Photochemistry & Photobiology, B: Biology, 2016, 164: 103.
[16] Zhang G W, Wang L, Pan J H. Journal of Agricultural and Food Chemistry, 2012, 60: 2721.
[17] Sun Q M, Yang H Q, Tang P X, et al. Food Chemistry, 2018, 243: 74. |
| [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] |
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. |
| [4] |
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. |
| [5] |
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. |
| [6] |
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. |
| [7] |
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. |
| [8] |
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. |
| [9] |
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. |
| [10] |
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. |
| [11] |
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. |
| [12] |
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. |
| [13] |
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. |
| [14] |
LI Jin-zhi1, LIU Chang-jin1, 4*, SHE Zhi-yu2, ZHOU Biao2, XIE Zhi-yong2, ZHANG Jun-bing3, JIANG Shen-hua2, 4*. Antiglycation Activity on LDL of Clove Essential Oil and the Interaction of Its Most Abundant Component—Eugenol With Bovine Serum Albumin[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(01): 324-332. |
| [15] |
YANG Kun, CHEN Lei*, CHENG Fan-chong, PEI Huan, LIU Gui-ming, WANG Bao-huai, ZENG Wen. Emission Spectroscopy Diagnosis of Air Gliding Arc Plasma Under
Atmospheric Pressure Condition[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(10): 3006-3011. |
|
|
|
|
