荧光增白剂与人血清白蛋白相互作用的多种光谱法及分子对接技术研究  

Study on Interactions between Fluorescent Brightener and Human Serum Albumin:Multi-spectroscopic and Molecular Docking Simulation

作　　者：曾永芳[1] 谢江宁 李凤标 周柳金 李莜[1] 吴胜 覃昆飞[1] ZENG Yong-fang;XIE Jiang-ning;LI Feng-biao;ZHOU Liu-jin;LI You;WU Sheng;QIN Kun-fei(Guigang Municipal Center for Disease Control and Prevention,Guigang 537100,China;Guigang City Public Inspection and Testing Center,Guigang 537100,China)

机构地区：[1]贵港市疾病预防控制中心,广西贵港537100 [2]贵港市公共检验检测中心,广西贵港537100

出　　处：《化学试剂》2024年第8期34-41,共8页Chemical Reagents

基　　金：广西壮族自治区卫生健康委员会自筹经费科研课题项目(Z-R20221955)。

摘　　要：通过多种光谱方法与分子对接技术,从分子水平上对两种荧光增白剂(C.I.135、C.I.185)与人血清白蛋白(HSA)的相互作用机制进行研究。稳态荧光光谱及紫外-可见光谱实验结果表明,C.I.135、C.I.185与HSA均形成了基态复合物(HSA-C.I.135、HSA-C.I.185),猝灭机理为静态猝灭机理,热力学参数表明氢键与范德华力是结合作用的主要作用力,并且结合过程都是自发进行。三维荧光光谱结果表明C.I.135、C.I.185可以改变HSA的氨基酸残基微环境和构象,C.I.185对HSA产生的影响是最大的。分子模拟实验进一步验证上述实验结果。Through multi-spectroscopic methods and molecular docking simulation,the study of the interaction mechanism of the two fluorescent brightener(C.I.135,C.I.185)and human serum albumin(HSA)was conducted at the molecular level.Steady-state fluorescence spectroscopy and UV-visible spectral experimental results showed that two ground state complexes(HSA-C.I.135 and HSA-C.I.185)were formed by C.I.135 and C.I.185 bonded with HSA,and the results also showed that quenching mechanism was a static quenching mechanism,the thermodynamic data show that Van der Waals interactions and hydrogen bonds formation were main interaction forces,and both of the binding were spontaneous.Three-dimensional fluorescence spectrum showed that C.I.135 and C.I.185 could change the microenvironment and conformation of the amino-acid residue of HSA,and C.I.185 had the greatest impact on HSA.The molecular docking simulation further verified the above experimental results.

关 键 词：荧光增白剂 人血清白蛋白 多种光谱 分子模拟技术 相互作用 

分 类 号：O657[理学—分析化学]