Abstract
Background:
"In response to the escalating crisis of antimicrobial resistance,"
Objective:
"...this study describes the design of a novel series of nalidixic acid derivatives via molecular hybridization."
Methods:"The synthesis strategy involved coupling the 1,8-naphthyridine core with amino acid spacers (L-phenylalanine and L-leucine) to form a carboxamide intermediate, followed by conversion into hydrazide and final condensation with substituted aromatic aldehydes to yield the target Schiff bases (4A-G)." "The structure of all synthesis compounds was characterized and confirmed using FT-IR, {H NMR}, and {C NMR} spectroscopy." "A molecular docking using Schrodinger software was conducted to evaluate the binding affinity of derivatives against two target DNA gyrase (2XCT) and fungal cyp51 enzyme (4WMZ).
Results:"The computational result indicates potent inhibitory potential, with several derivatives showing a superior binding score compared to the reference drugs ciprofloxacin and fluconazole." "Furthermore, ADMET profiling predicted favorable oral bioavailability and drug-likeness parameters in accordance with Lipinski’s rule of five.
Conclusion:
"These findings suggest that the synthesized amino acid-linked Schiff base hybrid serves as a.potential lead candidate for the development of a broad-spectrum antimicrobial agent.
| Intend to be published in the IJPS ? | NO |
|---|---|
| Has the manuscript been published | published |
