Computational Molecular Docking, Voltammetric and Spectroscopic DNA Interaction Studies of 9N-(Ferrocenylmethyl)adenine

2019;
: pp. 11-17
1
1 University of El Oued, VTRS Laboratory 2 University of Ouargla, Chemistry Department
2
University of Ouargla, Chemistry Department
3
University of El Oued, VTRS Laboratory

The binding free energy of 9N-(ferrocenylmethyl)adenine (FMA) with double-stranded deoxyribonucleic acid (DNA) was measured in solution using cyclic voltammetry and electronic spectroscopy (UV-Vis) techniques under similar conditions. The obtained results were confirmed by computational molecular docking. The docking studies yield good approximation with experimental data and showed that the ligand FMA is placed in the minor groove of DNA.

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