Título:	Solution and solid behavior of mono and binuclear zinc(II) and nickel(II) complexes with dithiocarbazates : X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines
Autor(es):	Cavalcante, Cássia de Queiroz Oliveira Arcanjo, Daniel da Silva Silva, Guilherme Guimarães da Oliveira, Diêgo Madureira de Gatto, Claudia Cristina
ORCID:	https://orcid.org/0000-0002-6044-1954 https://orcid.org/0000-0002-3736-6861
Afiliação do autor:	University of Brasília, Institute of Chemistry, Laboratory of Inorganic Synthesis and Crystallography University of Brasília, Laboratory of Cancer University of Brasília, Laboratory of Cancer University of Brasília, Laboratory of Cancer University of Brasília, Institute of Chemistry, Laboratory of Inorganic Synthesis and Crystallography
Assunto:	Ditiocarbazatos Raios X Espectrometria de massa Citotoxicidade Câncer
Data de publicação:	1-Jul-2019
Editora:	The Royal Society of Chemistry and the Centre National de la Recherche Scientifique
Referência:	CAVALCANTE, Cássia de Q. O. Solution and solid behavior of mono and binuclear zinc(II) and nickel(II) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines. New Journal of Chemistry,, n. 28, 43, 11209-11221, 2019. DOI: 10.1039/c9nj01814j rsc.li/njc.
Abstract:	The current work reports the synthesis and investigation by physical-chemistry and spectroscopic methods of three dithiocarbazates (2-acetylpyridine-S-allyl-dithiocarbazate – HL1 ; 2-acetylpyridine-S-p-bromobenzyl-dithiocarbazate – HL2 ; and 2-acetylpyridine-S-p-nitrobenzyl-dithiocarbazate – HL3) and six novel metal complexes derived from these Schiff-bases. Four crystal structures of the complexes are reported. The single crystal X-ray study showed two binuclear zinc(II) complexes with symmetrical and asymmetrical acetate bridges resulting in different coordination spheres. Another zinc(II) complex and three nickel(II) complexes present dithiocarbazates tridentate with NNS-donor atoms and octahedral geometry to the metal centers. The mass spectrometry data indicated the presence of the molecular ions [M + H]+ and characteristic fragments of the compounds. All characterization indicated the same behavior of the compounds as a solid and in solution. The biological activity of the zinc(II) and nickel(II) salts, the free dithiocarbazate ligands and their metal complexes was evaluated by assays with carcinoma mammary MDA-MB-231 cells. The results revealed that the free dithiocarbazates present great in vitro antitumor activity, which is increased after the complexation with zinc, with emphasis on the dimeric complex (1), which had an IC50 of 2.0 mM and exhibits more potential inhibition of tumor cell growth than the nickel(II) complexes.
Unidade Acadêmica:	Instituto de Química (IQ) Faculdade UnB Ceilândia (FCE)
Programa de pós-graduação:	Programa de Pós-Graduação em Ciências e Tecnologias em Saúde
DOI:	10.1039/c9nj01814j rsc.li/njc
Versão da editora:	https://pubs.rsc.org/en/content/articlelanding/2019/nj/c9nj01814j
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