Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods
DOI:
https://doi.org/10.21776/ub.jpacr.2019.008.1.433Keywords:
Hydrazone derivatives, S. aureus, DFT, DockingAbstract
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.Downloads
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