Synthesis, Crystal Structures, and Biological Activity of Cu(II), Mn(III), and Fe(III) Complexes Derived from N,N’-Bis(4-methoxysalicylidene)ethylenediamine

Abstract

Three mononuclear copper(II), manganese(III), and iron(III) complexes, [CuL(OH₂)] (1), [MnClL] (2), and [FeClL] (3), where L is the deprotonated form of N,N’-bis(4-methoxysalicylidene) ethylenediamine, were synthesized and structurally characterized by physicochemical methods and single-crystal X-ray diffraction. Each metal atom in the complexes adopts a square pyramidal coordination, with the four donor atoms of the Schiff base defining the basal plane, and with the water molecule for 1, and chloride atom for 2 and 3 occupying the apical position. The complexes were evaluated in vitro for their inhibitory activities against Jack bean urease. The copper complex showed effective inhibitory activity against the urease. A docking simulation was performed for the copper complex into the active site of the urease to investigate the probable binding conformation.

Keywords:

• crystal structure
• molecular docking study
• Schiff base
• synthesis
• urease inhibition

Acknowledgments

This work was financially supported by the Open-end Funds of Jiangsu Key Laboratory of Marine Biotechnology, Huaihai Institute of Technology (2010HS04), Natural Science Foundation of Huaihai Institute of Technology (KQ09029), and the National Science Foundation of China (20901036).