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Multispectroscopic analysis and molecular modeling to investigate the binding of beta lactoglobulin with curcumin derivatives

机译:多光谱分析及分子建模研究β乳酰粘蛋白与姜黄素衍生物的结合

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摘要

Bovine beta lactoglobulin (beta-lg), the major whey protein, has a great affinity for a wide range of organic compounds like fatty acids, retinol etc. Curcumin, a polyphenolic antioxidant present in turmeric and its isoxazole (IOC) and pyrazole (PY) derivatives have been elicited worldwide for their therapeutic activities. However, the nature of interaction of beta-lg with these derivatives remains unexplored. Fluorescence quenching studies suggest a static quenching mechanism for both the compounds. The average distances of 7.28 nm and 7.33 nm have been determined for IOC and PY respectively for energy transfer based on FRET which have application in many biological and biophysical fields. Circular dichroism spectra (CD) and Fourier transform infrared spectroscopy (FTIR) have been utilized to analyze the influence on the secondary structure of the protein. Docking simulation reveals a possible mechanism for different quenching behaviours and modes of binding preferred by the two compounds. Our findings will be helpful in the design of the drugs and other biologically active molecules that bind more strongly to beta-lg and have the ability to show FRET.
机译:牛β乳糖蛋白(Beta-Lg),主要的乳清蛋白,对姜黄等脂肪酸,视黄醇等姜黄素等的各种有机化合物具有很大的亲和力。存在于姜黄中的多酚抗氧化剂及其异恶唑(IOC)和吡唑(PY) )衍生品在全球范围内引发了他们的治疗活动。然而,β-LG与这些衍生物相互作用的性质仍未探索。荧光猝灭研究表明两种化合物的静态猝灭机制。对于基于许多生物和生物物理领域的褶皱,分别针对IOC和PY确定了7.28nm和70m的平均距离。已经利用圆形二色谱(CD)和傅里叶变换红外光谱(FTIR)来分析对蛋白质的二级结构的影响。对接模拟显示出不同淬火行为的可能机制和两种化合物优选的结合方式。我们的发现将有助于设计药物和其他生物活性分子,所述生物活性分子更强烈地与β-LG更强烈地结合并具有显示褶皱的能力。

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  • 来源
    《RSC Advances》 |2016年第113期|共9页
  • 作者单位

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

    Jadavpur Univ Organ Chem Sect Dept Chem Kolkata 700032 India;

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  • 正文语种 eng
  • 中图分类 化学;
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