光谱及分子对接法研究呋喃西林与HSA的相互作用
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摘要
采用多光谱和分子对接技术研究了呋喃西林与人血清白蛋白(HAS)的相互作用.Stern-Volmer分析和时间分辨荧光光谱法证明呋喃西林对HSA的猝灭过程是静态猝灭.计算得到了不同温度下的结合常数(Ka)和结合位点(n).热力学参数表明静电力是二者相互作用的主要作用力.紫外-可见吸收光谱进一步证实了呋喃西林与HSA发生了相互作用.圆二色光谱和红外光谱研究表明呋喃西林改变了HSA的构象.同步荧光研究结果显示呋喃西林改变了HSA的微环境.根据非辐射能量转移理论(FRET)计算了呋喃西林与HSA的结合距离.位点竞争实验和分子对接技术研究结果表明呋喃西林与HSA的结合位点是位于HSA亚结构域的ⅡA上.
The interaction between nitrofurazone and HSA was studied by multispectral and molecular docking techniques.The quenching process of nitrofurazone to HSA is static,and the static quenching process was accompanied by the non-radiation energy transfer.The binding constant(Ka),binding site(n),and binding distance(r0)were calculated at different temperatures.The thermodynamic parameters showed that electrostatic force plays a key role in the interaction between nitrofurazone and HSA.UV-vis absorption spectra further confirmed this interaction.FT-IR and CD spectra analyses indicated that fitrofurazone changes the secondary structure of HSA.Synchronous fluorescence spectra suggested that the microenvironment of Trp residue was changed,the polarity decreased and the hydrophobicity increased.Molecular docking technique and site competition experiments confirmed the binding site of nitrofurazone and HSA is in the sub-domainⅡA.
The interaction between nitrofurazone and HSA was studied by multispectral and molecular docking techniques.The quenching process of nitrofurazone to HSA is static,and the static quenching process was accompanied by the non-radiation energy transfer.The binding constant(Ka),binding site(n),and binding distance(r0)were calculated at different temperatures.The thermodynamic parameters showed that electrostatic force plays a key role in the interaction between nitrofurazone and HSA.UV-vis absorption spectra further confirmed this interaction.FT-IR and CD spectra analyses indicated that fitrofurazone changes the secondary structure of HSA.Synchronous fluorescence spectra suggested that the microenvironment of Trp residue was changed,the polarity decreased and the hydrophobicity increased.Molecular docking technique and site competition experiments confirmed the binding site of nitrofurazone and HSA is in the sub-domainⅡA.
引文
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