Abstract
Background:
Infectious diseases driven by multidrug-resistant (MDR) microbial pathogens present an alarming global health challenge, necessitating the urgent discovery of new antimicrobial agents.
Objective:
In this study, a new series of benzoxazole derivatives was rationally designed, synthesized, and evaluated for their preliminary antimicrobial potential against a panel of pathogenic bacterial strains.
Method:
The molecular design strategy was initially guided by in silico molecular docking investigations to predict binding modes, spatial orientations, and binding affinities within the active sites of key microbial enzymes (bacterial DNA gyrase ). Candidate compounds were synthesized and characterized using FTIR,
1
H NMR,
13
C NMR spectroscopy, and elemental analysis. Preliminary in vitro antimicrobial screening was performed via the agar disc-diffusion method and minimum inhibitory concentration (MIC) determinations.
Results:
Several benzoxazole derivatives exhibited notable inhibitory activities against both Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria, comparable to standard reference drugs such as Ciprofloxacin . A strong correlation was observed between computational binding scores and experimental antimicrobial outcomes.
Conclusion:
The synthesized benzoxazole core represents a promising lead scaffold for further structural optimization and development into effective antimicrobial therapeutics.
| Has the manuscript been published | not published |
|---|---|
| Intend to be published in the IJPS ? | Yes |
