Akademik Veri Yönetim Sistemi
Journal of Molecular Structure, cilt.1358, 2026 (SCI-Expanded, Scopus)
In this study, a series of novel 2-(4-substitutedphenyl)oxazolo[4,5-b]pyridine derivatives was synthesized, and their structures were characterized using FT-IR, ¹H NMR, ¹³C NMR, and HRMS spectroscopic techniques. The antimicrobial activity of the novel compounds was investigated against the standard strains of S. aureus ATCC 29213, E. faecalis ATCC 29212, E. coli ATCC 25922, P. aeruginosa ATCC 27853, A. baumannii NCTC 13304, K. pneumoniae ATCC 700603, C. albicans ATCC 10231, and two clinical isolates of each of these strains, using the in vitro microdilution method. PR1, the most effective compound against E. faecalis, showed similar activity to gentamicin and cefotaxime with an MIC value of 4 µg/mL. PR2 and PR3 were the other two compounds that exhibited the best activity against E. faecalis with an MIC of 8 µg/mL. Furthermore, PR1, PR2, and PR3 exhibited activity very close to meropenem with a MIC of 8 µg/mL against A. baumannii. PR1 showed more potent activity than gentamicin and meropenem against K. pneumoniae isolate 1, with an MIC of 4 µg/mL, and also showed better activity than meropenem against both isolates of A. baumannii. To analyze the compounds' promising antibacterial action and understand their binding mechanisms at the DNA gyrase active site, a molecular docking study was conducted. Finally, the chemical properties and quantum factors of the synthesized compounds were calculated using density functional theory (DFT) for estimating reactivity, and the results were then compared with experimental data. Furthermore, the ADMET properties of the compounds were evaluated through in silico analysis.