| 摘要: |
| 在体外模拟人体生理环境，采用光谱法并结合分子对接技术，研究了安普那韦与人血清白蛋白（HSA）之间的相互作用.荧光光谱表明：安普那韦可以增强HSA的荧光强度.通过对结合常数和热力学常数的计算可知，安普那韦和HSA之间的作用力主要是疏水和静电作用力；紫外-可见光谱显示：安普那韦能够增加HSA的吸收峰强度，表明两者之间发生了相互作用.三维荧光光谱也显示：加入安普那韦后，HSA的斯托克斯位移从62 nm增加到了86 nm，说明安普那韦可以使HSA的微环境极性增加，疏水性减弱；从圆二色光谱的研究结果可知：随着安普那韦的加入，HSA的α-螺旋结构含量从18.38%增加到了63.62%，说明安普那韦的存在改变了HSA的二级结构.分子对接研究结果表明：安普那韦与HSA的作用位点位于HSA的ⅡA结构域，而同步荧光光谱的分析进一步证明了这一点.研究结果为进一步研究安普那韦在体内与血清白蛋白的相互作用提供了一定的理论参考. |
| 关键词: 人血清白蛋白（HSA） 安普那韦 相互作用 光谱法 分子对接 |
| DOI：10.3969/J.ISSN.1000-5137.2020.04.005 |
| 分类号:R915 |
| 基金项目:国家自然科学基金（21303105） |
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| Study on the interaction of Amprenavir with human serum albumin |
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ZHANG Nan, CHEN Jianbo
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College of Life Sciences, Shanghai Normal University, Shanghai 200234, China
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| Abstract: |
| The interaction between Amprenavir and human serum albumin(HSA)was studied by spectrophotometry combined with molecular docking technology under the conditions of simulating human body environment in vitro. The results of fluorescence spectrometry showed that Amprenavir enhanced the fluorescence intensity of HSA.And the calculation of binding constants and thermodynamic constants proved the existence of hydrophobic forces and electrostatic forces. UV-Vis spectra indicated that the absorption intensity of Amprenavir-HSA was gradually increased, which suggests that there was interaction between Amprenavir and HSA.The change of Stokes shift was observed from 62 nm to 86 nm through three-dimensional spectra, which indicated that Amprenavir increased the polarity and decreased the hydrophobicity of HSA's microenvironment.Circular dichroism was used to calculate the content of α-helix structure of HSA as well.Results showed that α-helix structure increased from 18.38% to 63.62% after the addition of Amprenavir.It proved that the interaction between Amprenavir and HSA changed the secondary structure of the protein.The result of molecular docking study suggested that the interaction between Amprenavir and HSA mainly occurred at ⅡA domain of HSA.This was further confirmed by the analysis of synchronous fluorescence spectrometry. This research provided a theoretical reference for further studies of Amprenavir in vivo. |
| Key words: human serum albumin(HSA) Amprenavir interaction spectrometry molecular docking |
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