Syntheses, crystal structures, and Jack bean urease inhibitory activities of copper(II) complexes derived from 4-tert-butyl-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide

Two new copper(II) complexes, [CuL(HL)]center dot ClO4 (1) and [Cu2Br2L2]center dot 0.85H(2)O (2), where L is the monoanionic form of 4-tert-butyl-N'-(1-(pyridin-2-yl) ethylidene) benzohydrazide (HL), have been prepared. The complexes were characterized by infrared and UV-vis spectra, and single crystal X-ray diffraction. Complex 1 is a mononuclear copper(II) species and 2 is a bromido-bridged dinuclear copper(II) species. The Cu ion in 1 is in an octahedral coordination mode and that in 2 is trigonal-bipyramidal. The Jack bean urease inhibitory assay indicated that 2 is active, with IC50 value of 20.6 +/- 2.3 mu mol L-1, while 1 is inactive. Molecular docking of 2 with Jack bean urease was studied. [GRAPHICS] .