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Two dinuclear Co(II) complexes, [Co2(L)2(EtOH)4]·4ClO4(1) and [Co2(L)2(H2O)2(NO3)2]·2NO3(2) (L = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole), have been obtained and characterized by IR, elemental analysis, and single-crystal X-ray diffraction analysis. The stabilization of their crystal lattices is maintained by strong H-bonds between counterions and host framework, which lead to various supramolecular architectures. The urease inhibitory properties of1,2, andLwere investigated, where the two complexes revealed strong urease inhibition activities. Docking simulations of2have been performed with H. pylori urease (PDB code: 1E9Z) to rationalize their binding models. [ABSTRACT FROM AUTHOR]

[CoIII(L1)2·H2O]NO3(1), [MnII(L1)2·H2O] (2), and [ZnII(L1)2·H2O] (3) with a hydrazone derived from protocatechuic acid (HL1 = C15H13N3O3) were designed, synthesized, and characterized by C, H, N elemental analyses, single-crystal X-ray diffraction, and IR spectra, which revealed that the three complexes are similar structures. Docking study has been done. The urease inhibitory activities of the three complexes were tested. Complexes1and3showed strong inhibitory activity againstjack beanurease with IC50values of 45.9 and 11.64 μM. Complex2had no obvious inhibitory activity to urease; the IC50was > 50 μM. [ABSTRACT FROM AUTHOR]

Two mononuclear copper(II) complexes, [Cu(C15H16NO2)2] ( 1) and [Cu(C6H9N2O4)2·3H2O] ( 2·3H2O), were synthesised and structurally characterised by single-crystal X-ray analysis. The copper(II) atom adopts a square-planar environment in complex 1, while the geometry in 2·3H2O could be described as the distorted square pyramidal. Complexes 1 and 2·3H2O were evaluated for their inhibitory activities against Helicobacter pylori ( H. pylori) urease in vitro. They both were found to have strong inhibitory activities against H. pylori urease comparable to that of acetohydroxamic acid (AHA). A docking simulation was performed to position 2 into the H. pylori urease active site to determine the probable binding conformation. [ABSTRACT FROM AUTHOR]

A Schiff-base copper(II) complex, bis(N-n-butylsalicylaldiminato)copper(II), was synthesized and its solid-state structure was determined by X-ray crystallography. Its inhibitory activity against Helicobacter pylori urease was evaluated in vitro and it showed strong inhibitory activity against urease (IC50 = 0.95 µM), compared with acetohydroxamic acid (IC50 = 42.47 µM) as a positive reference. A docking analysis using the AUTODOCK 4.0 program was performed to explain the potent inhibitory activity of the complex against urease. [ABSTRACT FROM AUTHOR]

A Ni(II) Schiff-base complex, Ni(C14H10NOBr2)2, was synthesized and structurally characterized by single-crystal X-ray analysis. Its inhibitory activity against Helicobacter pylori urease was evaluated in vitro and showed strong inhibitory activity against H. pylori urease compared with acetohydroxamic acid (IC50 = 42.12 µmol L-1), which is a positive reference. A docking analysis using the autodock 4.0 program could explain the inhibitory activity of the complex against urease. [ABSTRACT FROM AUTHOR]