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Öğe Synthesis and Antimicrobial Evaluation of 2-(p-Substituted Phenyl)-5-[(4-substituted piperazin-1-yl)acetamido]-benzoxazoles(Walter De Gruyter Gmbh, 2014) Arisoy, Mustafa; Temiz-Arpaci, Ozlem; Kaynak-Onurdag, Fatma; Ozgen, SeldaA series of 2-(p-substituted phenyl)-5-(2-{4-[(p-chloro-fluorophenyl)/phenyl] piperazin-1-yl}-lacetamido)-benzoxazoles were synthesized and tested for their antimicrobial activities. The structures of the new derivatives were elucidated by spectral techniques. The minimum inhibitory concentrations (MIC) of the new benzoxazoles, along with those of previously synthesized analogues, were determined against standard bacterial and fungal strains and drug-resistant isolates, and compared with those of several reference drugs. The new benzoxazole derivatives were found to possess a broad spectrum of antimicrobial activity with MIC values of 32 - 1024 mu g/ml. Although the standard drugs were more active against the tested pathogens, the activities of the new benzoxazoles and the reference drugs were largely similar against the drug-resistant isolates.Öğe Synthesis of some piperazinobenzoxazole derivatives and their antimicrobial properties(Council Scientific & Industrial Res, 2016) Arisoy, Mustafa; Temiz-Arpaci, Ozlem; Kaynak-Onurdag, Fatma; Ozgen, SeldaA series of 2-(p-substitutedphenynenzy1)-5-[3-[4-[(p-chlorophenyl)/phenyl]piperazin-1-yl]propionamido]-benzoxazoles (3-22) have been synthesized towards discovering new antimicrobial compounds in order to fight against pathogens, which have become resistant to antibiotics and are the cause of increased mortality and morbidity throughout the world. Structures of new derivatives have been elucidated by spectral techniques. New and previously synthesized benzoxazoles have been evaluated for their antibacterial and antifungal activity against standard strains, and their drug-resistant isolates in comparison with reference drugs. This study is aimed to investigate the efficacy of the antimicrobial effect of different amido bridges on the same homologue structures of benzoxazole compounds. Compounds 3-22 exhibit broad antibacterial activity with MIC (Minimum Inhibitory Concentration) values of 128-256 mu g/mL against Staphylococcus aureus and its isolate except for derivative 7 that has a MIC value of 32 mu g/mL against S. aureus isolate and compounds 3 and 22 which have MIC value of 512 mu g/mL against S. aureus. Also, the tested compounds 3-22 possess low antifungal activity with MIC values of 128 mu g/mL against Candida albicans in comparison with antifungal reference drugs, fluconazole and amphotericin B.Öğe Synthesis, antimicrobial activity, density functional modelling and molecular docking with COVID-19 main protease studies of benzoxazole derivative: 2-(p-chloro-benzyl)-5-[3-(4-ethly-1-piperazynl) propionamido]-benzoxazole(Elsevier, 2021) Zeyrek, Celal Tugrul; Arpaci, Ozlem Temiz; Arisoy, Mustafa; Onurdag, Fatma KaynakThis study contains synthesis, antimicrobial activity, density functional modelling and molecular dock-ing 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 ben-zoxazole compound has been characterized by using H-1-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 struc-ture of the main protease (M-pro) of COVID-19. (C) 2021 Elsevier B.V. All rights reserved.Öğe Synthesis, quantum mechanical calculations, antimicrobial activities and molecular docking studies of five novel 2,5-disubstituted benzoxazole derivatives(Elsevier, 2021) Temiz-Arpaci, Ozlem; Zeyrek, Celal Tugrul; Arisoy, Mustafa; Erol, Meryem; Celik, Ismail; Kaynak-Onurdag, FatmaIn this study, five new 2-(p-(Substituted)phenyl)-5-(3-(4-ethylpiperazine-1-yl) propionamido)benzoxazole derivatives (B7-B11) were designed, synthesized, and their antimicrobial activities were determined by the microdilution method. The novel benzoxazole compounds were characterized using FTIR, H-1 NMR, and C-13 NMR spectroscopy, mass spectroscopy, and elemental analysis. B7 and B11 showed promising activity against P. aeruginosa isolate at 16 mu g/mL compared to the reference drugs. Quantum mechanical calculations were performed on five compounds in the ground state using density functional theory (DFT) with the B3LYP/6-311G(d,p) level. Molecular docking studies of the compounds were also performed a complex structure of the DNA gyrase enzyme with ciprofloxacin (PDB: 2XCT), and it was observed that the binding poses were similar to ciprofloxacin. Theoretical ADME profiles of the compounds conform to Lipinski and other limiting rules. (C) 2021 Elsevier B.V. All rights reserved.
