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

We have developed a simple synthetic protocol for the preparation of novel 3-(3-(4-fluorophenyl)-1-phenyl-1 H -pyrazol-4-yl)-5-arylisoxazoles. The structure of synthesized compounds was elucidated by spectral techniques like FT-IR, 1 H-NMR, 13 C-NMR, and mass. The novel bioactive compounds 3a-t were evaluated for in vitro antibacterial activity on several bacterial species. Compounds 3c (–4–NO 2 ), 3o (–4–F), and 3r (–3,4–Cl 2 ) 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. Graphic abstract