Erol, MeryemCelik, IsmailUzunhisarcikli, EbruKuyucuklu, Gulcan2024-06-122024-06-1220221040-66381563-5333https://doi.org/10.1080/10406638.2020.1802305https://hdl.handle.net/20.500.14551/18111In this study, a total of 17 piece 2,5-disubstituted benzoxazole derivatives were synthesized, 2 of which were not original, their antimicrobial activities were determined using microdilution method and theirin vitrocytotoxic activities were investigated on MCF-7 and A549 cells by MTT test. When the activity results are examined, although the antibacterial effects of benzoxazole derivatives are weaker than standard drugs;3N13and3N19againstCandida albicansisolate showed the closest activity to fluconazole with MIC: 16 mu g/ml. The cytotoxicity test was measured at a concentration of 100 mu M and a 24-h incubation period. The results showed that the compounds had weak activities against two cell lines. Molecular docking studies of synthesized compounds were performed on sterol 14 alpha-demethylase protein (CYP51) and protein-ligand interactions of3N13, the most effective derivative againstC. albicansisolate, were showed (PDB: 5TZ1). Estimated ADME profiles of compounds were calculated and also3N13's were calculated HUMO-LUMO energies, molecular electrostatic potential analysis, and geometric optimization parameters with 6-311 G+ (d,p) base set using DFT/B3LYP theory, and the results were displayed.en10.1080/10406638.2020.1802305info:eu-repo/semantics/closedAccessADME PredictionAntimicrobial ActivityBenzoxazoleCytotoxicityMolecular DockingRapid Colorimetric AssayDerivativesAnticancerResistanceBenzimidazolesMechanismsSurvivalGrowthArticle42416791696Q2WOS:0005560900000012-s2.0-85089067563Q3