Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7810793 | Journal of Molecular Structure | 2013 | 8 Pages |
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 Ã 104 Mâ1. Lower value of diffusion coefficient for MOT-DNA adduct (1.35 Ã 106 cm2 sâ1) relative to free MOT (1.66 Ã 106 cm2 sâ1) 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 (â5.77 kcal molâ1) and simulated (â5.86 kcal molâ1) 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.
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Authors
Raja Azadar Hussain, Amin Badshah, Manzar Sohail, Bhajan Lal, Kamran Akbar,