Synthesis and molecular docking study of pyrazole clubbed oxazole as antibacterial agents

Abstract

We have developed a simple synthetic protocol for the preparation of novel 3-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-arylisoxazoles. The structure of synthesized compounds was elucidated by spectral techniques like FT-IR, 1H-NMR, 13C-NMR, and mass. The novel bioactive compounds 3a-t were evaluated for in vitro antibacterial activity on several bacterial species. Compounds 3c (–4–NO2), 3o (–4–F), and 3r (–3,4–Cl2) exhibited good in vitro antibacterial activity. Furthermore, molecular docking on DNA gyrase subunit b could shed some light on the mechanism of action which can serve as a guide for lead optimization.