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首页> 外文期刊>RSC Advances >Unraveling the coptisine-ctDNA binding mechanism by multispectroscopic, electrochemical and molecular docking methods
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Unraveling the coptisine-ctDNA binding mechanism by multispectroscopic, electrochemical and molecular docking methods

机译：通过多光谱，电化学和分子对接方法解开Coptisine-CTDNA结合机制

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摘要

Coptisine, an isoquinoline alkaloid, is an important medicinal herbal extract with diverse pharmacological and biological activities. Based on these considerations, an explorative study of the interaction of coptisine with calf thymus DNA (ctDNA) was conducted using multispectroscopic, electrochemical and molecular modeling techniques under simulative physiological conditions. Absorption spectra and iodide quenching experiments indicated that intercalation was the main DNA binding mode for coptisine. Fluorescence studies revealed that this interaction process is predominantly a dynamic process. This was further confirmed in a difference absorption spectrum and in electrochemical studies. The apparent activation energy, Ea, remained largely constant at different temperatures. DNA chemical denaturation was used to further investigate the interaction and provided further support for the intercalation. Furthermore, CD spectroscopy confirmed that coptisine not only interacted with the ctDNA, but it also perturbed ctDNA structure. In addition to experimental approaches, molecular modeling was used as a tool to verify and expand the experimental outcomes.
机译：Coptisine是一种异喹啉生物碱，是具有多种药理学和生物活性的重要药用草药提取物。基于这些考虑，在模拟生理条件下使用多光谱，电化学和分子建模技术进行了对小腿胸腺DNA（CTDNA）的促进研究。吸收光谱和碘化物猝灭实验表明，嵌入是嵌豆内的主要DNA结合模式。荧光研究表明，该相互作用过程主要是动态过程。在差异吸收光谱和电化学研究中进一步证实了这一点。在不同温度下，表观活化能量EA仍然很大恒定。使用DNA化学变性来进一步研究相互作用并提供进一步支持嵌入。此外，CD光谱证实，COPTISINE不仅与CTDNA相互作用，而且还扰乱了CTDNA结构。除了实验方法外，分子建模用作验证和扩展实验结果的工具。

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  • 来源
    《RSC Advances》 |2015年第59期|共10页
  • 作者

    Mi Ran; Bai Xiao-Ting; Tu Bao; Hu Yan-Jun;

  • 作者单位

    Hubei Normal Univ Dept Chem Hubei Key Lab Pollutant Anal &

    Reuse Technol Hubei Collaborat Innovat Ctr Rare Met Chem Huangshi 435002 Peoples R China;

    Hubei Normal Univ Dept Chem Hubei Key Lab Pollutant Anal &

    Reuse Technol Hubei Collaborat Innovat Ctr Rare Met Chem Huangshi 435002 Peoples R China;

    Hubei Normal Univ Dept Chem Hubei Key Lab Pollutant Anal &

    Reuse Technol Hubei Collaborat Innovat Ctr Rare Met Chem Huangshi 435002 Peoples R China;

    Hubei Normal Univ Dept Chem Hubei Key Lab Pollutant Anal &

    Reuse Technol Hubei Collaborat Innovat Ctr Rare Met Chem Huangshi 435002 Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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