Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine

被引：21

作者：

Gou, Yi ^{[1
]}

Yu, Miao ^{[1
]}

Li, Yuguang ^{[1
]}

Peng, Yuhuai ^{[1
]}

Chen, Wu ^{[1
]}

机构：

[1] Wuhan Text Univ, Minist Educ, Engn Res Ctr Clean Prod Text Printing, Sch Chem & Chem Engn, Wuhan 430073, Peoples R China

来源：

INORGANICA CHIMICA ACTA | 2013年 / 404卷

基金：

中国国家自然科学基金; 中国博士后科学基金;

关键词：

Copper(II) complexes; X-ray crystal structures; Molecular docking; Urease inhibitors; DFT calculations; JACK-BEAN UREASE; CRYSTAL-STRUCTURES; KLEBSIELLA-AEROGENES; MICROBIAL UREASES; LIGANDS; BINDING; ENZYME; CU;

D O I：

10.1016/j.ica.2013.03.045

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two new dimeric copper(II) complexes, [Cu(C9H7NO4)(Py)](2)center dot 2(CH3OH) (1) (Py = pyridine) and [Cu(C13H9NO3)(H2O)](2) (2), where Schiff base ligands HL1 (C9H7NO4) and HL2 (C13H9NO3) were derived from glycine, were synthesized and structurally characterized. X-ray crystal structures of the complexes reveal that the copper centers in 1 possess a slightly distorted square pyramidal geometry, while one copper center in 2 has a square planar geometry and the other copper is distorted square pyramidal. The inhibitory activity of complexes 1 and 2 was tested in vitro against jack bean urease. It was found that both showed urease inhibitory potential (IC50 = 19 and 39 mu M). Molecular docking analysis was done using DOCK program to gain an understanding of their inhibitory activity. DFT calculations were also performed to evaluate electronic structures of the obtained copper(II) complexes. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：224 / 229

页数：6

共 39 条

[1] Crystal Structure of the First Plant Urease from Jack Bean: 83 Years of Journey from Its First Crystal to Molecular Structure [J].

Balasubramanian, Anuradha ;

Ponnuraj, Karthe .

JOURNAL OF MOLECULAR BIOLOGY, 2010, 400 (03) :274-283

[2] Structure-based rationalization of urease inhibition by phosphate: novel insights into the enzyme mechanism [J].

Benini, S ;

Rypniewski, WR ;

Wilson, KS ;

Ciurli, S ;

Mangani, S .

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2001, 6 (08) :778-790

[3]

Biglar M, 2012, IRAN J PHARM RES, V11, P831

[4]

BUNDY LG, 1988, J FERT ISSUES, V5, P24

[5] Synthesis and solid state structures of copper(II) complexes of Schiff bases derived from cyclopropyl and cyclobutylamine [J].

Castillo, I ;

Fernández-González, JM ;

Gárate-Morales, JL .

JOURNAL OF MOLECULAR STRUCTURE, 2003, 657 (1-3) :25-35

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

Chen, Wu ;

Li, Yuguang ;

Cui, Yongming ;

Zhang, Xian ;

Zhu, Hai-Liang ;

Zeng, Qingfu .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (10) :4473-4478

[7] Structural properties of the nickel ions in urease: novel insights into the catalytic and inhibition mechanisms [J].

Ciurli, S ;

Benini, S ;

Rypniewski, WR ;

Wilson, KS ;

Miletti, S ;

Mangani, S .

COORDINATION CHEMISTRY REVIEWS, 1999, 190 :331-355

[8] Synthesis, structures and urease inhibition studies of Schiff base metal complexes derived from 3,5-dibromosalicylaldehyde [J].

Cui, Yongming ;

Dong, Xiongwei ;

Li, Yuguang ;

Li, Zuowen ;

Chen, Wu .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2012, 58 :323-331

[9] Synthesis, structures and urease inhibition studies of copper(II) and nickel(II) complexes with bidentate N,O-donor Schiff base ligands [J].

Dong, Xiongwei ;

Li, Yuguang ;

Li, Zuowen ;

Cui, Yongming ;

Zhu, Hailiang .

JOURNAL OF INORGANIC BIOCHEMISTRY, 2012, 108 :22-29

[10] Quantum mechanical and molecular dynamics simulations of ureases and Zn β-lactamases [J].

Estiu, Guillermina ;

Suarez, Dimas ;

Merz, Kenneth M., Jr. .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2006, 27 (12) :1240-1262

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