title: Synthesis, molecular docking and biological evaluation of Schiff base transition metal complexes as potential urease inhibitors.
abstract: 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.
authors.affiliation: Engineering Research Center for Clean Production of Textile Printing, Ministry of Education, Wuhan Textile University, Wuhan 430073, People's Republic of China.
authors.forename: Wu
authors.initials: W
authors.lastname: Chen
authors.forename: Yuguang
authors.initials: Y
authors.lastname: Li
authors.forename: Yongming
authors.initials: Y
authors.lastname: Cui
authors.forename: Xian
authors.initials: X
authors.lastname: Zhang
authors.forename: Hai-Liang
authors.initials: HL
authors.lastname: Zhu
authors.forename: Qingfu
authors.initials: Q
authors.lastname: Zeng
mesh_terms: D032449:Canavalia / Q000201:enzymology*; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D008958:Models, Molecular; D011485:Protein Binding; D012545:Schiff Bases / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D028561:Transition Elements / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D014510:Urease / Q000037:antagonists & inhibitors* / Q000378:metabolism
chemical_list: D056831:Coordination Complexes; D004791:Enzyme Inhibitors; D012545:Schiff Bases; D028561:Transition Elements; D014510:Urease