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Spectroscopic Viscositic and Molecular Modeling Studies on the Interaction of 3′-Azido-Daunorubicin Thiosemicarbazone with DNA

机译:3-叠氮基-柔红霉素硫代氨基脲与DNA相互作用的光谱学粘度和分子模型研究

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摘要

A new daunorubicin has been synthesized and structurally characterized. The interaction of native calf thymus DNA (ctDNA) with 3′-azido-daunorubicin thiosemicarbazone (ADNRT) was investigated under simulated physiological conditions by multi-spectroscopic techniques, viscometric measurements and molecular modeling study. It concluded that ADNRT could intercalate into the base pairs of ctDNA, and the fluorescence quenching by ctDNA was static quenching type. Thermodynamic parameters calculated suggested that the binding of ADNRT to ctDNA was mainly driven by hydrophobic interactions. The relative viscosity of ctDNA increased with the addition of ADNRT, which confirmed the intercalation mode. Furthermore, molecular modeling studies corroborate the above experimental results.
机译:已经合成了新的柔红霉素并对其结构进行了表征。通过多光谱技术,粘度测量和分子模型研究,在模拟生理条件下研究了天然小牛胸腺DNA(ctDNA)与3'-叠氮基-柔红霉素硫代半碳环素(ADNRT)的相互作用。结论:ADNRT可以插入ctDNA的碱基对,而ctDNA的荧光猝灭是静态猝灭。计算的热力学参数表明,ADNRT与ctDNA的结合主要是由疏水相互作用驱动的。 ctDNA的相对粘度随着ADNRT的增加而增加,这证实了插入模式。此外,分子建模研究证实了上述实验结果。

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