Статья
2020

Voltammetric and Docking Investigation of the Binding Interaction between (E)-1-[(2-Phenoxyphenylimino)methyl]naphthalen-2-ol and Calf Thymus DNA


 Ender Biçer Ender Biçer , Temban Acha Billy Temban Acha Billy , Mustafa Macit Mustafa Macit
Российский электрохимический журнал
https://doi.org/10.1134/S1023193520120046
Abstract / Full Text

In vitro interaction between (E)-1-[(2-phenoxyphenylimino)methyl]naphthalen-2-ol (2-PPMN) and calf thymus DNA (ct-DNA) at physiological pH was investigated by means of square-wave (SW) voltammetry and computational docking techniques. SW voltammetry study for 2-PPMN at pH 7.40 showed a cathodic peak at −1.520 V. By adding of ct-DNA, the cathodic current of 2-PPMN decreased due to intermolecular interaction. The effect of temperature on this interaction was also studied using voltammetric studies. The binding constants were determined from voltammetric data. According to van’t Hoff equation, ΔH and ΔS values were calculated as 124.68 kJ mol–1 and 526.16 J mol–1 K–1, respectively. Thermodynamic binding studies of 2-PPMN with ct-DNA suggested that hydrophobic forces played a main role and entropy favoured. The computational docking results revealed that 2-PPMN bound to the minor groove of ct-DNA and this interaction had a binding energy of −7.4 kcal mol–1.

Author information
  • Department of Chemistry, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139, Atakum-Samsun, Turkey

    Ender Biçer, Temban Acha Billy & Mustafa Macit

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