Synthesis and structural characterization of Schiff base copper(II) complexes with Helicobacter pylori urease inhibitory activities

• Three new mononuclear copper(II) complexes have been synthesized.
• The complexes have been characterized by physico-chemical methods and single crystal X-ray diffraction.
• Complex 1 showed effective inhibitory activity against Helicobacter pylori urease.
• Molecular docking study of the complexes with Helicobacter pylori urease was performed.

Three new mononuclear copper(II) complexes, [CuL1(N3)] (1), [CuL1(NCS)] (2), and [CuL2(NCS)] (3), where L1 is the monoanionic form of 5-diethylamino-2-[(pyridin-2-ylmethylimino)methyl]phenol (HL1), and L2 is the monoanionic form of 2-[1-(2-piperidin-1-ylethylimino)ethyl]phenol (HL2), have been synthesized and characterized by physico-chemical methods, as well as single crystal X-ray determination. The Cu atoms in the complexes are coordinated by the donor atoms of the Schiff base ligands and nitrogen atom of the pseudohalide ligands, forming square planar geometry. The complexes showed effective urease inhibitory activities. Complex 1 showed the most urease inhibitory activity, with IC50 value of 1.5 ± 1.1 μM. Molecular docking study of the complexes with Helicobacter pylori urease was performed. As a result, complex 1 matches well with the cavity of the active center of the urease, and forms weak interaction with residues ASP316, LEU318, MET317, CYS321, HIS322 and ARG328.

Three new mononuclear copper(II) complexes derived from Schiff bases have been synthesized and characterized. Complex 1 showed effective urease inhibitory activity, with IC50 value of 1.5 ± 1.1 μM. Molecular docking study of the complexes with Helicobacter pylori urease was performed.Figure optionsDownload as PowerPoint slide