Spectral, electrochemical, and molecular docking evaluation of the interaction of the anti-hyperthyroid drug methimazole with DNA

Abstract

The interaction of native calf thymus DNA with the anti-hyperthyroid drug, methimazole, was investigated by different spectroscopic (UV/Vis spectrophotometry, spectroflourimetry and circular dichroism), electrochemical (cyclic voltammetry and chronoamperometry) methods and molecular docking calculations. The binding constant (K b ) was obtained from spectrophotometric method to be 9.67 × 10 3 L mol -1 ; comparable to that of groove binding molecules. The binding mode was further investigated by following the competition between Hoechst 33258 and methimazole for DNA grooves by spectrofluorimetry. Consistent results were obtained from all experimental methods used in this study. Finally, theoretical calculations using molecular docking method confirmed the experimental results.

Interactions of a biocompatible water-soluble anthracenyl polymer derivative with double-stranded DNA

“…58 Since the value of K q was much higher than the maximum diffusion collisional quenching rate of various quenchers with biopolymers E2.0 Â 10 10 M À1 s À1 , 56,57 the quenching can be ascribed to the formation of an Ant-PHEA-DNA complex (static) rather than to dynamic collision. 59 Assuming static quenching the association constant (K f ) and the number of binding sites (n) were analyzed according to the following equation: 60 log[(…”

Antileishmanial Drug Miltefosine‐dsDNA Interaction in situ Evaluation with a DNA‐Electrochemical Biosensor

“…The research of the interaction between toxic drugs and DNA has enabled to elucidate the implications in DNA structural modifications, and the mechanistic and cytotoxic aspects of the drugs physiological action. Different methods, such as AFM , capillary and gel electrophoresis , fluorescence , FTIR , tandem mass , NMR , Raman , UV‐Visible spectroscopies, surface plasmon resonance , viscosimetry and electrochemistry have been applied.…”