TY - JOUR
T1 - A Ni(II) dinuclear complex bridged by end-on azide-N and phenolate-O atoms
T2 - Spectral interpretation, magnetism and biological study
AU - Das, Kuheli
AU - Datta, Amitabha
AU - Nandi, Soumendranath
AU - Mane, Sandeep B.
AU - Mondal, Sudipa
AU - Massera, Chiara
AU - Sinha, Chittaranjan
AU - Hung, Chen Hsiung
AU - Askun, Tulin
AU - Celikboyun, Pinar
AU - Cantürk, Zerrin
AU - Garribba, Eugenio
AU - Akitsu, Takashiro
N1 - Publisher Copyright:
This journal is © the Partner Organisations.
PY - 2015/8/1
Y1 - 2015/8/1
N2 - A potential tetradentate monoanionic N2O2 chelator, HL, derived from the condensation of o-vanillin and N,N-dimethylethylenediammine, has been reacted with nickel perchlorate and sodium azide to yield the dinuclear Ni(ii) complex [Ni(L)(μ1,1-N3)Ni(L)(OH2)2]·ClO4 (1), where L = Me2N(CH2)2NCH-C6H3(O-)(OCH3). The complex has been characterized by X-ray diffraction analysis and different spectroscopic techniques. The coordination geometry around the Ni(ii) centres is a distorted octahedron, with the azide ligand and the phenolato oxygen atom bridging in μ1,1 and μ2 mode, respectively. The EPR spectra, recorded at liquid nitrogen temperature (77 K) and room temperature (298 K), show g factors of 2.080 and 2.085, in agreement with the structure determined by X-ray diffraction analysis. The VTM study confirms that there are ferromagnetic interactions between the bridging binuclear Ni(ii) ions (S = 1). The evaluation of cytotoxic effects on different human cancer cell lines (A-549, MCF-7 and CaCo-2) suggests that both the ligand and complex 1 have potential anticancer properties. Furthermore, they also exhibit anti-mycobacterial activity against M. tuberculosis H37Rv (ATCC 27294) and M. tuberculosis H37Ra (ATCC 25177) strains. Molecular docking of HL with the enoyl acyl carrier protein reductase of M. tuberculosis H37Rv (PDB ID: 4U0K) has been examined, showing that HL forms two hydrogen bonds with Lys165 (1.94 and 2.53 Å) in its best docked pose.
AB - A potential tetradentate monoanionic N2O2 chelator, HL, derived from the condensation of o-vanillin and N,N-dimethylethylenediammine, has been reacted with nickel perchlorate and sodium azide to yield the dinuclear Ni(ii) complex [Ni(L)(μ1,1-N3)Ni(L)(OH2)2]·ClO4 (1), where L = Me2N(CH2)2NCH-C6H3(O-)(OCH3). The complex has been characterized by X-ray diffraction analysis and different spectroscopic techniques. The coordination geometry around the Ni(ii) centres is a distorted octahedron, with the azide ligand and the phenolato oxygen atom bridging in μ1,1 and μ2 mode, respectively. The EPR spectra, recorded at liquid nitrogen temperature (77 K) and room temperature (298 K), show g factors of 2.080 and 2.085, in agreement with the structure determined by X-ray diffraction analysis. The VTM study confirms that there are ferromagnetic interactions between the bridging binuclear Ni(ii) ions (S = 1). The evaluation of cytotoxic effects on different human cancer cell lines (A-549, MCF-7 and CaCo-2) suggests that both the ligand and complex 1 have potential anticancer properties. Furthermore, they also exhibit anti-mycobacterial activity against M. tuberculosis H37Rv (ATCC 27294) and M. tuberculosis H37Ra (ATCC 25177) strains. Molecular docking of HL with the enoyl acyl carrier protein reductase of M. tuberculosis H37Rv (PDB ID: 4U0K) has been examined, showing that HL forms two hydrogen bonds with Lys165 (1.94 and 2.53 Å) in its best docked pose.
UR - https://www.scopus.com/pages/publications/84941992317
U2 - 10.1039/c5qi00060b
DO - 10.1039/c5qi00060b
M3 - Article
AN - SCOPUS:84941992317
SN - 2052-1545
VL - 2
SP - 749
EP - 762
JO - Inorganic Chemistry Frontiers
JF - Inorganic Chemistry Frontiers
IS - 8
ER -