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In this study, a new series of 2,5-disubstituted benzoxazoles was synthesized and their structures were elucidated by elemental analysis, MASS, (1)H-NMR, (13)C-NMR and IR spectral data. Newly and previously synthesized 2,5-disubstituted benzoxazole derivatives were evaluated for antibacterial and antifungal activity against standard strains and their drug-resistant isolates. Microbiological results showed that the compounds presented a large spectrum of activity having MIC values of 250-7.8 microg mL(-1) against the tested microorganisms. Among the newly synthesized derivatives 3-22, compound 11 was the most active against Candida krusei out of all; however, it was one dilution less potent than standard drug fluconazole. In addition, all the new and previous compounds were more active than standard drugs ampicillin trihydrate and rifampicin against Pseudomonas aeruginosa and its gentamicin-resistant isolate. The 2D-QSAR (Quantitative Structure-Activity Relationship) analysis of a set of newly and previously synthesized benzoxazoles tested for growth inhibitory activity against methicillin-resistant Staphylococcus aureus (MRSA) was also performed by using multivariable regression analysis. The activity contributions for substituent effects of these compounds were determined from the correlation equation for predictions of the lead optimization.

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A series of 2-(p-substituted-benzyl)-5-[[4-(p-chloro/fluoro-phenyl)piperazin-1-yl]ace tamido] -benzoxazoles were synthesized in need of new compounds for the fight against microbial pathogens. Their structures were elucidated by spectral techniques. These new derivatives, along with previously synthesized 2-(p-substituted-benzyl)-5-substituted-benzoxazoles, were evaluated for their antibacterial and antifungal activities against standard strains and drugresistant isolates in comparison with ampicillin, gentamicin sulfate, ofloxacin, vancomycin, fluconazole, and amphotericin B trihydrate. The minimum inhibitory concentration (MIC) of each compound was determined by a two-fold serial dilution technique. The compounds were found to possess a broad spectrum of antimicrobial activities with MIC values of 32 - 256 μg/ml. Although standard drugs were more active against the pathogenes employed in this study, the activities of the new benzoxazoles and reference drugs against drug-resistant isolates of the microorganisms were largely similar

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A new series of 5-(p-substituted benzamido/phenylacetamido)-2-(p-tert-butylphenyl)benzoxazole derivatives were synthesized and evaluated for their antibacterial, antifungal, and antimycobacterial activities against antibiotic-resistant and -sensitive Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Klebsiella pneumoniae, and Mycobacterium tuberculosis as well as against Candida albicans and Candida krusei. The compounds possessed broad-spectrum activity against all of the tested Gram-positive and Gram-negative bacteria and yeasts, their minimum inhibitory concentrations (MICs) ranging between 16 -128 μg/ml. One compound exhibited signifi cant antibacterial activity (16 μg/ml) against an antibioticresistant Enterococcus faecalis isolate, having twice the potency of the compared standard drugs vancomycin and gentamycin sulfate. The compounds also showed moderate antitubercular activity with MIC values between 8 -128 μg/ml against Mycobacterium tuberculosis and its clinical isolate. , dd, J = 8.0, J' = 2.0), 8.01 (1H, s), 7.99 -7.98 (1H, d, J = 2.0), 7.81 -7.79 (2H, d, J = 8.0), 7.66 -7.63 (1H, dd, J = 8.8, J' = 2.4), 7.56 -7.52 (3H, m), 7.29 -7.27 (1H, d, J = 8.4), 3.00 (3H, s), 1.37 (9H, s), -NH invisible 385 (100) [M + + H] Brought to you by | University of Georgia Libraries Authenticated Download Date | 6/15/15 7:02 PM 1269, 952 -567 10.32 (1H, s), 8.26 -8.256 (1H, d, J = 2.0), 8.13 -8.11 (2H, d, J = 8.8), 7.91 -7.89 (2H, d, J = 8.0), 7.73 -7.77 (2H, d, J = 1.2), 7.63 -7.61 (2H, d, J = 8.8), 7.36 -7.34 (2H, d, J = 8.0), 3.31 (2H, t), 2.63 -2.67 (2H, m), 1.61 -1.54 (2H, m), 1.30 (9H, s), 0.91 -0.88 (3H, t) 427 (100) [M + 1250, 950 -613 10.32 (1H, s), 8.13 -8.11 (3H, d, J = 8.8), 7.72 -7.70 (1H, d, J = 8.8), 7.65 -7.62 (2H, d, J = 8.4), 7.54 -7.52 (1H, d, J = 8.4), 7.29 -7.27 (2H, d, J = 8.0), 6.91 -6.89 (2H, d, J = 8.4), 3.74 (3H, s),

This study contains synthesis, antimicrobial activity, density functional modelling and molecular docking studies of benzoxazole derivative: 2-(p-chloro-benzyl)-5-[3-(4-ethly-1-piperazynl) propionamido]-benzoxazole. The synthetic procedure of investigated compound is given in detail. The newly synthesized benzoxazole compound and standard drugs were evaluated for their antimicrobial activity against some Gram-positive, Gram-negative bacteria and fungus C. albicans and their drug-resistant isolates. The benzoxazole compound has been characterized by using 1 H-NMR, IR and MASS spectrometry and elemental analysis techniques. The molecular structure of the compound in the ground state has been modelling using density functional theory (DFT) with B3LYP/6-311++g(d,p) level. The molecular docking of 2-(p-chloro-benzyl)-5-[3-(4-ethly-1-piperazynl) propionamido]-benzoxazole with COVID-19 main protease has been also performed by using optimized geometry and the experimentally determined dimensional structure of the main protease (M-pro) of COVID-19.