Benzylidine indane-1,3-diones: As novel urease inhibitors; synthesis, in vitro, and in silico studies.

ABSTRACT

Current study deals with the evaluation of indane-1,3-dione based compounds as new class of urease inhibitors. For that purpose, benzylidine indane-1,3-diones (1-30) were synthesized and fully characterized by different spectroscopic techniques including EI-MS, HREI-MS, 1H, and 13C NMR. All synthetic molecules 1-30 were evaluated for urease inhibitory activity and showed good to moderate inhibitory potential within the range of (IC50 = 11.60 ±â€¯0.3-257.05 ±â€¯0.7 µM) as compared to the standard acetohydroxamic acid (IC50 = 27.0 ±â€¯0.5 µM). Compound 1 (IC50 = 11.60 ±â€¯0.3 µM) was found to be most potent inhibitor amongst all derivatives. The key binding interactions of most active compounds within the enzyme pocket were evaluated through in silico studies.