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 (IC50 = 0.52 and 0.46 μM), compared with acetohydroxamic acid (IC50 = 42.12 μM) as a positive reference. Cobalt(II), nickel(II) and zinc(II) compounds also exhibited potent inhibitory activity (IC50 = 3.88–25.20 μM). A docking analysis using the AUTODOCK 4.0 program could explain the inhibitory activities of 1 and 4 against urease.

Graphical abstractSchiff base transition metal compounds 1–6 were evaluated for the inhibitory activities on the jack bean urease (IC50 = 0.46–25.20 μM). A docking analysis using the AUTODOCK 4.0 program could explain the inhibitory activities of compound 1 and 4 against urease.Figure optionsDownload full-size imageDownload as PowerPoint slide