TY - JOUR
T1 - Structural studies and anticancer activity of a novel (N6O 4) macrocyclic ligand and its Cu(II) complexes
AU - El-Boraey, Hanaa A.
AU - Emam, Sanaa M.
AU - Tolan, Dina A.
AU - El-Nahas, Ahmed M.
PY - 2011/1
Y1 - 2011/1
N2 - A novel (N6O4) macrocyclic ligand (L) and its Cu(II) complexes have been prepared and characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and conductivity measurements. Quantum chemical calculations have also been carried out at B3LYP/6-31+G(d,p) to study the structure of the ligand and one of its complexes. The results show a novel macrocyclic ligand with potential amide oxygen atom, amide and amine nitrogen atoms available for coordination. Distorted square pyramidal ([Cu(L)Cl]Cl·2.5H2O (1), [Cu(L)NO3]NO 3·3.5H2O (2), and [Cu(L)Br]Br·3H 2O (4) and octahedral ([Cu(L)(OAc)2]·5H 2O (3)) geometries were proposed. The EPR data of 1, 2, and 4 indicate d1 x2 -y2 ground state of Cu(II) ion with a considerable exchange interaction. The measured cytotoxicity for L and its complexes (1, 2) against three tumor cell lines showed that coordination improves the antitumor activity of the ligand; IC50 for breast cancer cells are ≈8.5, 3, and 4 μg/mL for L and complexes (1) and (2), respectively.
AB - A novel (N6O4) macrocyclic ligand (L) and its Cu(II) complexes have been prepared and characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and conductivity measurements. Quantum chemical calculations have also been carried out at B3LYP/6-31+G(d,p) to study the structure of the ligand and one of its complexes. The results show a novel macrocyclic ligand with potential amide oxygen atom, amide and amine nitrogen atoms available for coordination. Distorted square pyramidal ([Cu(L)Cl]Cl·2.5H2O (1), [Cu(L)NO3]NO 3·3.5H2O (2), and [Cu(L)Br]Br·3H 2O (4) and octahedral ([Cu(L)(OAc)2]·5H 2O (3)) geometries were proposed. The EPR data of 1, 2, and 4 indicate d1 x2 -y2 ground state of Cu(II) ion with a considerable exchange interaction. The measured cytotoxicity for L and its complexes (1, 2) against three tumor cell lines showed that coordination improves the antitumor activity of the ligand; IC50 for breast cancer cells are ≈8.5, 3, and 4 μg/mL for L and complexes (1) and (2), respectively.
KW - Antitumor activity
KW - Copper(II) complexes
KW - DFT calculations
KW - Macrocyclic ligand
KW - Spectral studies
KW - Thermal analysis (TG/DTG)
UR - http://www.scopus.com/inward/record.url?scp=78650696691&partnerID=8YFLogxK
U2 - 10.1016/j.saa.2010.10.021
DO - 10.1016/j.saa.2010.10.021
M3 - Article
C2 - 21081283
AN - SCOPUS:78650696691
SN - 1386-1425
VL - 78
SP - 360
EP - 370
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
IS - 1
ER -
