title: Synthesis, structure and urease inhibition studies of Schiff base copper(II) complexes with planar four-coordinate copper(II) centers.
abstract: Seven new Schiff base copper(II) complexes with planar four-coordinate copper(II) centers have been synthesized and structurally characterized. The solid state structures of complexes 1, 3, 4, 5, 6 and 7 present a square-planar coordination geometry at the metal centers while complex 2 shows a slightly distorted square-planar geometry. Density functional theory calculations have been performed to evaluate the electronic structure of copper(II) complex 7. Inhibition of jack bean urease by copper(II) complexes 1-7 have also been investigated, and potent inhibitory activities with IC50 range of 2.60-17.00μM have been observed for these mononuclear copper(II) complexes. A docking analysis using a DOCK program was conducted to explain the urease inhibitory activity of the copper(II) complexes and the structure-activity relationships were further discussed.
authors: School of Chemistry and Chemical Engineering, Wuhan Textile University, Wuhan 430073, China; School of Chemistry, Central China Normal University, Wuhan 430079, China.
authors: Xiongwei
authors: X
authors: Dong
authors: Taolian
authors: T
authors: Guo
authors: Yuguang
authors: Y
authors: Li
authors: Yongming
authors: Y
authors: Cui
authors: Qiang
authors: Q
authors: Wang
mesh_terms: D056831:Coordination Complexes / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D004789:Enzyme Activation / Q000187:drug effects; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D008958:Models, Molecular; D011789:Quantum Theory; D012545:Schiff Bases / Q000737:chemistry*; D013329:Structure-Activity Relationship; D014510:Urease / Q000037:antagonists & inhibitors*
chemical_list: D056831:Coordination Complexes; D004791:Enzyme Inhibitors; D012545:Schiff Bases; D003300:Copper; D014510:Urease
keywords: Copper(II) complexes; Density functional calculations; Molecular docking; Urease inhibitors; X-ray structures