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All Journal The Journal of Pure and Applied Chemistry Research
Abel Oyebamiji
Ladoke Akintola University of Technology, Ogbomoso, Nigeria
Chemical Engineering, Chemistry & Bioengineering Chemistry Materials Science & Nanotechnology Medicine & Pharmacology

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Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods Abel Oyebamiji; B. Benjamin Adeleke; Ajibade Adejoro; Oyedeji Folashade
The Journal of Pure and Applied Chemistry Research Vol 8, No 1 (2019): Edition January-April 2019
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2019.008.1.433

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.
Co-Authors Ajibade Adejoro B. Benjamin Adeleke Oyedeji Folashade