《厦门大学学报（自然科学版）》

多库酯钠(docusate sodium,DSS)广泛应用于生化研究中,探究其与人血清蛋白(human serum albumin,HSA)之间的非共价相互作用对于阐明其在人体内的结合、转运以及代谢有着重要作用.运用质谱法和光谱法,详细阐释了DSS与HSA之间的相互作用机理.电喷雾电离质谱实验结果表明1个HSA分子可以结合3个DSS分子.荧光光谱结果显示DSS与HSA之间可以通过疏水作用和静电作用相互结合,并且两者之间具有很强的亲和力(结合常数K大于105 L/mol).紫外-可见吸收光谱和圆二色谱结果进一步表明DSS与HSA之间形成了稳定的复合物,并且由于DSS的疏水链可以为HSA提供疏水性较强的环境,增强了两者之间的疏水作用,使HSA中α-螺旋含量从49.9%上升到55.5%.

Docusate sodium(DSS)has multiple applications in biochemical research.Studying its noncovalent interaction with human serum albumin(HSA)is crucial in elucidating its binding,transport,metabolism,and toxicity in humans.In this study,the noncovalent interaction between DSS and HSA was investigated using mass spectrometry and spectroscopy.The stoichiometry of the HSA-DSS complexes obtained with electrospray ionization mass spectrometry(ESI-MS)suggests that HSA can have three distinct binding sites for DSS.The results of fluorescence spectra show that DSS can bind to HSA through hydrophobic and electrostatic interaction,and has a strong ability to bind with HSA(the binding constant K is greater than 105L/mol).The results of UV-vis absorption spectra and circular dichroism indicate thata stable complex was formed between DSS and HSA.The hydrophobic chain of DSS could provide a strong hydrophobic environment for HSA,which led to the enhancement of hydrophobic interaction between DSS and HSA,resulting inthe content of α-helical structure of HSA increases from 49.9% to 55.5%.

引言
1 实验部分
2 结果与讨论
3 结论

图1 HSA(a)以及HSA与DSS摩尔比为1:1(b)时的ESI-MS谱图<br/>Fig.1 The ESI-MS spectra of HSA(a)and HSA with DSS at the molar ratio of 1:1(b)

图1 HSA(a)以及HSA与DSS摩尔比为1:1(b)时的ESI-MS谱图
Fig.1 The ESI-MS spectra of HSA(a)and HSA with DSS at the molar ratio of 1:1(b)

图2 HSA与DSS摩尔比分别为1:3(a)和1:6(b)时的ESI-MS谱图<br/>Fig.2 The ESI-MS spectra of HSA with DSS at the molar ratios of 1:3(a)and 1:6(b)respectively

图2 HSA与DSS摩尔比分别为1:3(a)和1:6(b)时的ESI-MS谱图
Fig.2 The ESI-MS spectra of HSA with DSS at the molar ratios of 1:3(a)and 1:6(b)respectively

图3 不同DSS浓度下HSA的荧光发射光谱<br/>Fig.3 The fluorescence emission spectra of HSA at different concentrations of DSS

图3 不同DSS浓度下HSA的荧光发射光谱
Fig.3 The fluorescence emission spectra of HSA at different concentrations of DSS

图4 不同温度下1/(F-F0)对cDSS-1(a)和ln K对T-1(b)的拟合曲线<br/>Fig.4 Fitting curves of 1/(F-F0)versus cDSS-1(a)and ln K versus T-1(b)at different temperatures

图4 不同温度下1/(F-F0)对cDSS-1(a)和ln K对T-1(b)的拟合曲线
Fig.4 Fitting curves of 1/(F-F0)versus cDSS-1(a)and ln K versus T-1(b)at different temperatures

表1 不同温度下HSA-DSS体系的结合常数以及相关热力学参数<br/>Tab.1 The binding constants and relative thermodynamic parameters for HSA-DSS system at different temperatures

表1 不同温度下HSA-DSS体系的结合常数以及相关热力学参数
Tab.1 The binding constants and relative thermodynamic parameters for HSA-DSS system at different temperatures

图5 不同DSS浓度下HSA的紫外-可见吸收光谱<br/>Fig.5 UV-Vis absorption spectra of HSA at different concentrations of DSS

图5 不同DSS浓度下HSA的紫外-可见吸收光谱
Fig.5 UV-Vis absorption spectra of HSA at different concentrations of DSS

图6 不同DSS浓度下HSA的CD谱图<br/>Fig.6 CD spectra of HSA at different concentrations of DSS

图6 不同DSS浓度下HSA的CD谱图
Fig.6 CD spectra of HSA at different concentrations of DSS

[1] ORMARSSON O T,ASGRIMSDOTTIR G M,LOFTSSON T,et al.Free fatty acid suppositories are as effective as docusate sodium and sorbitol enemas in treating constipation in children[J].Acta Paediatrica,2016,105(6):689-694.
[2] GONG Y H,WEN A M,CHEUNG D,et al.Preclinical evaluation of docusate as protective agent from herpes simplex viruses[J].Antiviral Research,2001,52(1):25-32.
[3] YANG H Q,HUANG Y M,HE J W,et al.Interaction of lafutidine in binding to human serum albumin in gastric ulcer therapy:STD-NMR,WaterLOGSY-NMR,NMR relaxation times,Tr-NOESY,molecule docking,and spectroscopic studies[J].Archives of Biochemistry and Biophysics,2016,606:81-89.
[4] MAURYA J K,MIR M U H,MAURYA N,et al.A spectroscopic and molecular dynamic approach on the interaction between ionic liquid type gemini surfactant and human serum albumin[J].Journal of Biomolecular Structure and Dynamics,2016,34(10):2130-2145.
[5] 杨少梅,侯瑾,黄志宁,等.紫杉醇与人血清白蛋白的相互作用[J].厦门大学学报(自然科学版),2014,53(4):581-587.
[6] BISCHEL H N,MACMANUS-SPENCER L A,LUTHY R G.Noncovalent interactions of long-chain perfluoroalkyl acids with serum albumin[J].Environmental Science & Technology,2010,44(13):5263-5269.
[7] CHI Q,LI Z,HUANG J X,et al.Interactions of perfluo-rooctanoic acid and perfluorooctanesulfonic acid with serum albumins by native mass spectrometry,fluorescence and molecular docking[J].Chemosphere,2018,198:442-449.
[8] RUNDLETT K L,ARMSTRONG D W.Mechanism of signal suppression by anionic surfactants in capillary electrophoresis-electrospray ionization mass spectrometry[J].Analytical Chemistry,1996,68(19):3493-3497.
[9] LIU X Y,LING Z X,ZHOU X,et al.Comprehensive spectroscopic probing the interaction and conformation impairment of bovine serum albumin(BSA)by herbicide butachlor[J].Journal of Photochemistry and Photobiology B:Biology,2016,162:332-339.
[10] JENA B B,SATISH L,MAHANTA C S,et al.Interaction of carborane-appended trimer with bovine serum albumin:a spectroscopic investigation[J].Inorganica Chimica Acta,2019,491:52-58.
[11] NAIK D V,PAUL W L,THREATTE R M,et al.Fluo-rometric determination of drug-protein association constants.Binding of 8-anilino-1-naphthalenesulfonate by bovine serum albumin[J].Analytical Chemistry,1975,47(2):267-270.
[12] ZHANG S S,CHEN X R,DING S P,et al.Unfolding of human serum albumin by gemini and single-chain surfactants:a comparative study[J].Colloids and Surfaces A:Physicochemical and Engineering Aspects,2016,495:30-38.
[13] BHATTACHARYYA J,BHATTACHARYYA M,CHAKRABARTY A S,et al.Interaction of chlorpro-mazine with myoglobin and hemoglobin:a comparative study[J].Biochemical Pharmacology,1994,47(11):2049-2053.
[14] CUI F L,WANG J L,CUI Y R,et al.Fluorescent inves-tigation of the interactions between N-(p-chloro-phenyl)-N'-(1-naphthyl)thiourea and serum albumin:synchronous fluorescence determination of serum albumin[J].Analytica Chimica Acta,2006,571(2):175-183.
[15] ROSS P D,SUBRAMANIAN S.Thermodynamics of protein association reactions:forces contributing to stability[J].Biochemistry,1981,20(11):3096-3102.
[16] SUBRAMANIAN S,ROSS J B A,ROSS P D,et al.Investigation of the nature of enzyme-coenzyme interactions in binary and ternary complexes of liver alcohol dehydro-genase with coenzymes,coenzyme analogs,and substrate analogs by ultraviolet absorption and phosphorescence spectroscopy[J].Biochemistry,1981,20(14):4086-4093.
[17] LEJON S,CRAMER J F,NORDBERG P.Structural basis for the binding of naproxen to human serum albumin in the presence of fatty acids and the GA module[J].Acta Crystallographica Section F:Structural Biology and Crystallization Communications,2008,64(Pt2):64-69.
[18] PATHAK M,MISHRA R,AGARWALA P K,et al.Binding of ethyl pyruvate to bovine serum albumin:calorimetric,spectroscopic and molecular docking studies[J].Thermochimica Acta,2016,633:140-148.
[19] SHEN G F,LIU T T,WANG Q,et al.Spectroscopic and molecular docking studies of binding interaction of gefitinib,lapatinib and sunitinib with bovine serum albumin(BSA)[J].Journal of Photochemistry and Photobiology B:Biology,2015,153:380-390.
[20] OHTA N,YOTSUYANAGI T,CHEN D N,et al.Disulfide bond cleavage of human serum albumin and alterations of its secondary structure by cis-diamminedichloropla-tinum(Ⅱ)[J].International Journal of Pharmaceutics,1992,85(1/2/3):39-44.
[21] MIR M U H,MAURYA J K,ALI S,et al.Molecular interaction of cationic gemini surfactant with bovine serum albumin:a spectroscopic and molecular docking study[J].Process Biochemistry,2014,49(4):623-630.

备注

引言

1 实验部分

2 结果与讨论

3 结论

学报简介

备注

引言

1 实验部分

2 结果与讨论

3 结 论

学报简介

3 结论