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首页> 外文期刊>Journal of Molecular Structure >The bilateral action between EQ14-2-14 gemini surfactant and bovine serum albumin by DPI and ~1H NMR
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The bilateral action between EQ14-2-14 gemini surfactant and bovine serum albumin by DPI and ~1H NMR

机译:DPI和〜1H NMR分析EQ14-2-14双子表面活性剂与牛血清白蛋白之间的双边作用

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摘要

Gemini surfactant diglycol bis-N-tetradecyl nicotinate dibromide (designed as EQ14-2-14) has been synthesized. The interaction between EQ14-2-14 and bovine serum albumin (BSA) was studied by dual polarization interferometry (DPI), proton nuclear magnetic resonance spectroscopy (~1H NMR), Fourier transform infrared spectroscopy (FTIR) and molecular docking. Owing to the binding of EQ14-2-14, the thickness and mass of BSA increased; refractive index (RI) and density firstly raised and then tended to a plateau. In addition, a decrease of α-helix was observed from 54.01% to 31.56% with an increase in random structure from 7.86% to 21.76%. Due to BSA intertwining, the proton resonance signals of EQ14-2-14 shifted up-field and relaxation time decreased with increasing concentration of BSA. The study of molecular docking indicated that EQ14-2-14 embedded into subdomain II of BSA by π-π stacking between the electron-deficit pyridinium rings in EQ14-2-14 and the electron-abundant pyrrole ring in Trp residues of BSA, by hydrogen bonding and by hydrophobic interaction. Therefore the present work offers a whole view of the interaction of BSA with a new gemini surfactant.
机译:已经合成了双子叶表面活性剂二甘醇双-N-十四烷基烟酸酯二溴化物(设计为EQ14-2-14)。通过双极化干涉法(DPI),质子核磁共振波谱(〜1H NMR),傅立叶变换红外光谱(FTIR)和分子对接研究了EQ14-2-14与牛血清白蛋白(BSA)之间的相互作用。由于EQ14-2-14的结合,BSA的厚度和质量增加;折射率(RI)和密度首先升高,然后趋于平稳。另外,观察到α-螺旋从54.01%减少到31.56%,而随机结构从7.86%增加到21.76%。由于BSA的缠绕,随着BSA浓度的增加,EQ14-2-14的质子共振信号向高场移动,弛豫时间减小。分子对接研究表明,EQ14-2-14通过EQ14-2-14中的电子缺陷吡啶鎓环与BSA的Trp残基中的电子富集的吡咯环之间的π-π堆积嵌入BSA的亚结构域II中。氢键和通过疏水相互作用。因此,本工作提供了BSA与新型双子表面活性剂相互作用的完整视图。

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