Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods
Abel Oyebamiji, B. Benjamin Adeleke, Ajibade Adejoro, Oyedeji Folashade
J. Pure App. Chem. Res. Vol 8, No 1 (2019), pp. 1-6
Submitted: August 03, 2018     Accepted: January 20, 2019     Published: January 20, 2019


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Quantum chemical calculations through density functional theory and docking study were carried out on a set of seven hydrazones and S. aureus cell line (4b19) so as to observe their inhibitory abilities of hydrazones. Many parameters which describe the anti-S. aureus were evaluated. All the compounds under study were docked against S. aureus cell line as receptors and the resulting binding energies reflected the extent of their binding affinities. 2,4-dinitrophenylhydrazone of formaldehyde showed the highest binding affinity.

Keywords : Hydrazone derivatives, S. aureus, DFT, Docking
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