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Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods
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Authors: Abel Oyebamiji, B. Benjamin Adeleke, Ajibade Adejoro, Oyedeji Folashade
Year
2019
Paper ID
28092
Status
Peer-reviewed
Abstract Read
~2 min
Abstract Words
77
Citations
N/A
Abstract
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.
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- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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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.
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