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Development of the electrochemical, spectroscopic and molecular docking approaches toward the investigation of interaction between DNA and anti-leukemic drug azacytidine
Bioelectrochemistry ( IF 5 ) Pub Date : 2022-04-18 , DOI: 10.1016/j.bioelechem.2022.108135
Rafia Nimal 1 , Didem Nur Unal 2 , Cem Erkmen 2 , Burcin Bozal-Palabiyik 2 , Muhammad Siddiq 3 , Gokcen Eren 4 , Afzal Shah 3 , Bengi Uslu 2
Affiliation  

This study examines the interaction between pyrimidine nucleoside analogue azacytidine, an anti-leukemic drug, and DNA by employing electrochemical, UV–vis spectroscopy, fluorescence spectroscopy and molecular docking techniques. In the electrochemical technique, azacytidine and dsDNA interaction was investigated in two different ways: (1) in solution and (2) with a biosensor using differential pulse voltammetry (DPV) at a glassy carbon electrode. The interaction between azacytidine and dsDNA at increasing interaction times was investigated in line with the changes in adenine and guanine oxidation signals. In addition, interaction studies of polyguanine-azacytidine and polyadenine-azacytidine were performed with DPV. The binding constant values were calculated as 2.420 × 104 M−1 and 3.266 × 104 M−1 at 25 °C using UV and fluorescence spectroscopy, respectively. In conclusion, based on electrochemical and spectroscopic methods as well as molecular docking studies, it was predicted that azacytidine can bind to dsDNA via groove binding.



中文翻译:

开发电化学、光谱和分子对接方法以研究 DNA 和抗白血病药物氮杂胞苷之间的相互作用

本研究通过采用电化学、紫外-可见光谱、荧光光谱和分子对接技术,研究了嘧啶核苷类似物氮胞苷(一种抗白血病药物)与 DNA 之间的相互作用。在电化学技术中,以两种不同的方式研究氮杂胞苷和 dsDNA 的相互作用:(1) 在溶液中和 (2) 在玻璃碳电极上使用微分脉冲伏安法 (DPV) 的生物传感器。根据腺嘌呤和鸟嘌呤氧化信号的变化,研究了在相互作用时间增加时氮杂胞苷和 dsDNA 之间的相互作用。此外,对 DPV 进行了聚鸟嘌呤-氮杂胞苷和聚腺嘌呤-氮杂胞苷的相互作用研究。结合常数值计算为 2.420 × 10 4 M -1和 3.266 × 10 4 M -1在 25 °C 下分别使用紫外和荧光光谱。总之,基于电化学和光谱方法以及分子对接研究,预测氮杂胞苷可以通过凹槽结合与dsDNA结合。

更新日期:2022-04-23
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