Title of article :
Synthesis, structure and urease inhibition studies of dimeric copper(II) complexes with a tridentate Schiff base ligand derived from tetrahydrofurfurylamine
Author/Authors :
Li، نويسنده , , Xia-zhen Yang، نويسنده , , Xiaosu and Li، نويسنده , , Yuguang and Gou، نويسنده , , Yi and Wang، نويسنده , , Qiang، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Abstract :
Three new dimeric copper(II) complexes with general formula Cu2(L)2X2, where L is a tridentate O,N,O-donor Schiff base ligand derived from tetrahydrofurfurylamine, have been synthesized and structurally characterized. X-ray single crystal studies reveal that complexes 1, 2 and 3 possess a centrosymmetric dimeric core Cu2X2 (X = Cl, Br and SCN) and the copper(II) centers sit in slightly distorted square pyramidal coordination geometry (τ = 0.02–0.09). The urease inhibitory activities of the obtained copper(II) complexes have been tested in vitro against jack bean urease, and the results show that these copper(II) complexes exhibit potent inhibitory activities with IC50 ranges of 7.20–11.00 μM. Molecular docking analysis using dock program has also been conducted to gain further understanding of the inhibitory activities.
Keywords :
X-ray crystal structures , molecular docking , DFT calculations , Urease inhibitors , Copper(II) complexes
Journal title :
INORGANICA CHIMICA ACTA
Journal title :
INORGANICA CHIMICA ACTA