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.
Chen
Wu
W
Engineering Research Center for Clean Production of Textile Printing, Ministry of Education, Wuhan Textile University, Wuhan 430073, People's Republic of China.
Li
Yuguang
Y
Cui
Yongming
Y
Zhang
Xian
X
Zhu
Hai-Liang
HL
Zeng
Qingfu
Q
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
D056831:Coordination Complexes; D004791:Enzyme Inhibitors; D012545:Schiff Bases; D028561:Transition Elements; D014510:Urease