Abstract
Scaffold varied dihydropyrimidone derivatives1-20were evaluated for their selective urease inhibitory kinetics potential. Compounds1,2,3,4,5,6, and12were found to be the most promising urease inhibitors and showed the inhibition (K(i)values) within the range of 9.9 +/- 0.5 to 18.3 +/- 0.4 mu M. Lineweaver-Burk plot, Dixon plot and their secondary replots confirm that all these molecules have followed competitive mode of inhibition. Docking arrangements (MOE) revealed that all the ligands bind in the active site and therefore compete with substrate urea. Molecular docking studies of all compounds have confirmed the binding interactions of various ligands with the amino acid residues as well as Ni atoms of active site. Furthermore, these compounds1-20were also tested for their cytotoxicity against human neutrophils and plants and were found to be non-toxic.