Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods

Authors

  • Abel Oyebamiji Ladoke Akintola University of Technology, Ogbomoso, Nigeria
  • B. Benjamin Adeleke University of Ibadan
  • Ajibade Adejoro University of Ibadan
  • Oyedeji Folashade University of Ibadan

DOI:

https://doi.org/10.21776/ub.jpacr.2019.008.1.433

Keywords:

Hydrazone derivatives, S. aureus, DFT, Docking

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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Published

2019-01-20

How to Cite

Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods. (2019). The Journal of Pure and Applied Chemistry Research, 8(1), 1-6. https://doi.org/10.21776/ub.jpacr.2019.008.1.433