Article ID Journal Published Year Pages File Type
7810793 Journal of Molecular Structure 2013 8 Pages PDF
Abstract
In this article we have reported synthesis, chemical characterization (with single crystal XRD, elemental analysis, FTIR and multinuclear NMR spectroscopy), DNA binding (with cyclic voltammetry, UV-vis spectroscopy, molecular docking and viscometry) and antioxidant activities (1,1-diphenyl-2-picrylhydrazyl scavenging) of 1-(2-methylbenzoyl)-3-(3-ferrocenylphenyl)selenourea (MOT). We found that this compound interacts electrostatically with DNA and has a binding constant value of 1.703 × 104 M−1. Lower value of diffusion coefficient for MOT-DNA adduct (1.35 × 106 cm2 s−1) relative to free MOT (1.66 × 106 cm2 s−1) in cyclic voltammetry (CV) indicated the binding of the compound with DNA. Smaller value of binding site size (0.88 base pairs) in CV, hyperchromism in UV-vis spectroscopy and decrease of relative specific viscosity of DNA in viscometry favored electrostatic interactions. Binding energy of experimental (−5.77 kcal mol−1) and simulated (−5.86 kcal mol−1) work are in close agreement with each other. IC50 value of MOT for 1,1-diphenyl-2-picrylhydrazyl scavenging was found to be 27 μM.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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