Ertan-Bolelli, TugbaBolelli, KayhanOkten, SuzanKaynak-Onurdag, FatmaAki-Yalcin, EsinYalcin, Ismail2024-06-122024-06-1220170011-16431334-417Xhttps://doi.org/10.5562/cca3111https://hdl.handle.net/20.500.14551/18564beta-Lactam antibiotics are frequently used for treatment of multi-drug resistant microbial infections and the most common mechanism of resistance against these antibiotics is bacterial beta-lactamase production. Herein, we reported the design, synthesis and in vitro antimicrobial activities of some new 2-substituted-5-(2,4-dinitrophenylsulfonamido) benzoxazole derivatives. Compounds TN1, TN2, and TN3 were found to be significantly active against E. coli isolate which contains extended spectrum beta-lactamase enzyme at the MIC value of 8 mu g mL(-1) and that is 4-fold higher than the reference drug ampicillin. We performed molecular docking studies into active site of Escherichia coli TEM-1 beta-lactamase enzyme in order to predict the protein-ligand interactions. According to the docking results, compounds TN1, TN2, and TN3 showed strong interactions between the important active site residues which are responsible for the catalytic mechanism of TEM-1 beta-lactamase enzyme and a good correlation is found with the experimental data.en10.5562/cca3111info:eu-repo/semantics/openAccessAntimicrobial ActivityBenzoxazoleEscherichia ColiBeta-LactamaseMolecular DockingSulfonamideInhibitorsDerivativesCatalysisEvolutionEnzymeArticle9016774Q4WOS:0004120962000082-s2.0-85020750100Q4