The College of Pharmacy discussed the MSc thesis entitled “In Silico Study, Synthesis, and Antibacterial Evaluation of New Benzoxazole-Based Ampicillin Derivatives” by the student Noor Samir Khudir and the supervisor, Lecturer Dr. Sarah Sattar Jabbar, at the Pharmaceutical Chemistry Department.
The study aimed to rationally design, synthesize, characterize, biologically valuate novel ampicillin–benzoxazole conjugates, with the objective of developing promising compounds with potential antibacterial activity.
The study included the design, synthesis of novel ampicillin derivatives linked to benzoxazole through urea and thiocarbamate linkages. The synthesized compounds were characterized, their chemical structures were confirmed using spectroscopic techniques, including Fourier-transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (^1H-NMR), carbon nuclear magnetic resonance (^13C-NMR). Furthermore, molecular docking studies were conducted to evaluate the binding interactions of the compounds with the target receptors, in vitro assessment of their antibacterial activity.
The results showed that the successful synthesis of the target compounds, confirmation of their chemical structures. Biological evaluation, computational studies revealed that some of the conjugates exhibited promising antibacterial activity, favorable binding interactions with the target receptors, suggesting their potential for further development as candidate compounds for additional pharmacological investigations.
The study recommended conducting further investigations to evaluate the toxicity, safety profiles of the synthesized compounds, assessing their antibacterial activity against a broader range of bacterial species, particularly antibiotic-resistant strains. It recommended developing new derivatives , optimizing their chemical structures to enhance their biological activity , selectivity, paving the way for more comprehensive preclinical studies.
