Hana Faraj Saeid
Department of Medicinal Chemistry, Faculty of Pharmacy, Omar Al-Mukhtar University, Al-Beyda
Ghandoura Mousay Ahlaal
Department of Medicinal Chemistry, Faculty of Pharmacy, Omar Al-Mukhtar University, Al-Beyda
Muna A Othman Salem
Department of Medicinal Chemistry, Faculty of Pharmacy, Omar Al-Mukhtar University, Al-Beyda
ABSTRACT
In this study, a novel hydrazone derivative was synthesized through the condensation of 2,4-dinitrophenylhydrazine and 5-(4-chlorophenyl) furfural. The structural characterization of the synthesized compound was carried out using melting point analysis, infrared (IR) spectroscopy, and proton nuclear magnetic resonance (1H-NMR) spectroscopy, confirming its purity and chemical integrity. Molecular docking studies were performed to evaluate the binding affinity of the synthesized hydrazone derivative with the active site of Escherichia coli K-12 (Protein Data Bank ID: 7NB9), yielding a binding energy of -5.74 kcal/mol, which is significantly stronger than the standard antimicrobial drug nitrofurantoin (-4.71 kcal/mol). Additionally, the compound was analyzed for its interaction with human serum albumin complexed with cis-9-octadecenoic acid (oleic acid) (PDB ID: 1GNI), demonstrating an even greater binding energy of -9.48 kcal/mol, surpassing that of nitrofurantoin (-4.56kcal/mol). These findings suggest that the synthesized hydrazone derivative exhibits strong molecular interactions, highlighting its potential as a promising candidate for further drug development.
Keywords: Hydrazone, 2,4-Dintrophenylhydrazine, Nitrofurantoin, Antimicrobial Activity, Molecular Docking Study.
