Synthesis, molecular docking and biological evaluation of Schiff base transition metal complexes as potential urease inhibitors.

Six transition metal compounds of Schiff base ligands were evaluated for the inhibitory activity on jack bean urease, of which compounds 2-6 were determined by single crystal X-ray analysis. It was found that copper(II) complexes 1 and 4 showed strong inhibitory activity against jack bean urease (IC(50) = 0.52 and 0.46 microM), compared with acetohydroxamic acid (IC(50) = 42.12 microM) as a positive reference. Cobalt(II), nickel(II) and zinc(II) compounds also exhibited potent inhibitory activity (IC(50) = 3.88-25.20 microM). A docking analysis using the AUTODOCK 4.0 program could explain the inhibitory activities of 1 and 4 against urease. Copyright (c) 2010 Elsevier Masson SAS. All rights reserved.