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

Elhafnaoui Lanez1, 2, Lazhar Bechki2, Touhami Lanez1
Affiliation: 
1 University of El Oued, VTRS Laboratory, B.P.789, 39000, El Oued, Algeria 2 University of Ouargla, Chemistry Department, PO Box 511, 30000, Ouargla, Algeria touhami-lanez@univ-eloued.dz
DOI: 
https://doi.org/10.23939/chcht13.01.011
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Keywords:

Abstract: 
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.
References: 

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