Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods
| Main Authors: | Oyebamiji, Abel, Adeleke, B. Benjamin, Adejoro, Ajibade, Folashade, Oyedeji |
|---|---|
| Format: | Article info application/pdf eJournal |
| Bahasa: | eng |
| Terbitan: |
Chemistry Department, The University of Brawijaya
, 2019
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| Subjects: | |
| Online Access: |
https://jpacr.ub.ac.id/index.php/jpacr/article/view/433 https://jpacr.ub.ac.id/index.php/jpacr/article/view/433/pdf_1 |
Daftar Isi:
- 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.