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)2N♂CH-C6H3(O-)(OCH3). The complex has been characterized by X-ray diffraction anal. and different spectroscopic techniques. The coordination geometry around the Ni(II) centers is a distorted octahedron, with the azide ligand and the phenolato oxygen atom bridging in μ1,1 and μ2 mode, resp. The EPR spectra, recorded at liq. nitrogen temp. (77 K) and room temp. (298 K), show g factors of 2.080 and 2.085, in agreement with the structure detd. by X-ray diffraction anal. 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. Mol. docking of HL with the enoyl acyl carrier protein reductase of M. tuberculosis H37Rv (PDB ID: 4U0K) has been examd., showing that HL forms two hydrogen bonds with Lys165 (1.94 and 2.53 Å) in its best docked pose. [on SciFinder(R)]
A Ni(II) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study / Das, Kuheli; Datta, Amitabha; Nandi, Soumendranath; Mane, Sandeep B.; Mondal, Sudipa; Massera, Chiara; Sinha, Chittaranjan; Hung, Chen Hsiung; Askun, Tulin; Celikboyun, Pinar; Canturk, Zerrin; Garribba, Eugenio; Akitsu, Takashiro. - In: INORGANIC CHEMISTRY FRONTIERS. - ISSN 2052-1553. - 2:8(2015), pp. 749-762. [10.1039/C5QI00060B]
A Ni(II) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study
MASSERA, Chiara;
2015-01-01
Abstract
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)2N♂CH-C6H3(O-)(OCH3). The complex has been characterized by X-ray diffraction anal. and different spectroscopic techniques. The coordination geometry around the Ni(II) centers is a distorted octahedron, with the azide ligand and the phenolato oxygen atom bridging in μ1,1 and μ2 mode, resp. The EPR spectra, recorded at liq. nitrogen temp. (77 K) and room temp. (298 K), show g factors of 2.080 and 2.085, in agreement with the structure detd. by X-ray diffraction anal. 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. Mol. docking of HL with the enoyl acyl carrier protein reductase of M. tuberculosis H37Rv (PDB ID: 4U0K) has been examd., showing that HL forms two hydrogen bonds with Lys165 (1.94 and 2.53 Å) in its best docked pose. [on SciFinder(R)]I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
