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Journal of Coordination Chemistry Volume 64, 2011 - Issue 22
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Original Articles

Synthesis, urease inhibitory activities, and molecular docking studies of two Cu(II) complexes

YongMing Cui Engineering Research Center for Clean Production of Textile Printing, Ministry of Education, Wuhan Textile University, Wuhan 430073, P.R. China
,
WeiTu Liu College of Life Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, P.R. China
,
Yang Liu Engineering Research Center for Clean Production of Textile Printing, Ministry of Education, Wuhan Textile University, Wuhan 430073, P.R. China
,
Wu Chen Engineering Research Center for Clean Production of Textile Printing, Ministry of Education, Wuhan Textile University, Wuhan 430073, P.R. ChinaCorrespondence[email protected]
&
Yuguang Li Engineering Research Center for Clean Production of Textile Printing, Ministry of Education, Wuhan Textile University, Wuhan 430073, P.R. ChinaCorrespondence[email protected]
Pages 3960-3968 | Received 24 Jul 2011, Accepted 11 Oct 2011, Published online: 14 Nov 2011
 
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Abstract

Two mononuclear copper(II) complexes, [Cu(C4H3N2O2)2 · 4H2O] (1) and [Cu(C12H11N2O2Cl2)2] (2), were synthesized and structurally characterized by single-crystal X-ray analysis. The copper(II) adopts a square-planar environment in 1, while the geometry in 2 can be described as distorted square-pyramidal. Complexes 1 and 2 were evaluated for their inhibitory activities against jack bean urease in vitro and both were found to have strong inhibitory activities comparable to that of acetohydroxamic acid. A docking simulation was performed to position 2 into the jack bean urease active site to determine the probable binding conformation.

Acknowledgments

This work was financed by grant from National Natural Science Foundation of China (50978208), Hubei National Science Foundation (2009CDA022), and Education Office of Hubei Province (D20091704, Q20101610).

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