| Campo DC | Valor | Idioma |
|---|
| dc.contributor.author | Cavalcante, Cássia de Queiroz Oliveira | - |
| dc.contributor.author | Mota, Tales Henrique Andrade da | - |
| dc.contributor.author | Oliveira, Diêgo Madureira de | - |
| dc.contributor.author | Nascimento, Érica Cristina Moreno | - |
| dc.contributor.author | Martins, João Batista Lopes | - |
| dc.contributor.author | Pittella-Silva, Fabio | - |
| dc.contributor.author | Gatto, Claudia Cristina | - |
| dc.date.accessioned | 2023-10-09T11:19:08Z | - |
| dc.date.available | 2023-10-09T11:19:08Z | - |
| dc.date.issued | 2023-03-07 | - |
| dc.identifier.citation | CAVALCANTE, Cássia de Q. O. et al. Dithiocarbazate ligands and their Ni(II) complexes with potential biological activity: structural, antitumor and molecular docking study. Frontiers in Molecular Biosciences, v. 10, 2023. DOI: https://doi.org/10.3389. /fmolb.2023.1146820. Disponível em: https://www.frontiersin.org/articles/10.3389/fmolb.2023.1146820/full. Acesso em: 09 out. 2023. | pt_BR |
| dc.identifier.uri | http://repositorio2.unb.br/jspui/handle/10482/46638 | - |
| dc.language.iso | eng | pt_BR |
| dc.publisher | Frontiers | pt_BR |
| dc.rights | Acesso Aberto | pt_BR |
| dc.title | Dithiocarbazate ligands and their Ni(II) complexes with potential biological activity : structural, antitumor and molecular docking study | pt_BR |
| dc.type | Artigo | pt_BR |
| dc.subject.keyword | Complexos de níquel (II) | pt_BR |
| dc.subject.keyword | Ditiocarbazatos | pt_BR |
| dc.subject.keyword | Espectrometria de massa | pt_BR |
| dc.subject.keyword | Superfície de Hirshfeld | pt_BR |
| dc.subject.keyword | Atividade antitumoral | pt_BR |
| dc.rights.license | © 2023 Cavalcante, da Mota, de Oliveira, Nascimento, Martins, Pittella-Silva and Gatto. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. | pt_BR |
| dc.identifier.doi | https://doi.org/10.3389/fmolb.2023.1146820 | pt_BR |
| dc.description.abstract1 | n the search for new metal complexes with antitumor potential, two dithiocarbazate ligands derived from 1,1,1-trifluoro-2,4-pentanedione (H 2 L 1) and (H2 L2 ) and four Ni(II) complexes, [Ni(L 1 )PPh3 ] (1), [Ni(L 1)Py] (2), [Ni(L2)PPh 3](3), and [Ni(L 2
)Py] (4), were successfully synthesized and investigated by physical-chemistry and spectroscopic methods. The crystal structure of the H2 L 1 and the Ni(II) complexes has been elucidated by single-crystal X-ray diffraction. The obtained structure from H 2 L 1 confirms the cyclization reaction and formation of the pyrazoline derivative. The results showed square planar geometry to the
metal centers, in which dithiocarbazates coordinated by the ONS donor system and a triphenylphosphine or pyridine molecule complete the coordination sphere. Hirshfeld surface analysis by dnorm function was investigated and showed π–π
stacking interactions upon the molecular packing of H 2 L1 and non-classical hydrogen bonds for all compounds. Fingerprint plots showed the main interactions attributed to H·H C·H, O·H, Br·H, and F·H, with contacts contributing between 1.9% and 38.2%. The mass spectrometry data indicated the presence of molecular ions [M + H] + and characteristic fragmentations of the
compounds, which indicated the same behavior of the compounds in solution and solid state. Molecular docking simulations were studied to evaluate the properties and interactions of the free dithiocarbazates and their Ni(II) complexes with selected proteins and DNA. These results were supported by in vitro cytotoxicity assays against four cancer cell lines, showing that the synthesized
metal complexes display promising biological activity. | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Chemistry, Laboratory of Inorganic Synthesis and Crystallography | pt_BR |
| dc.contributor.affiliation | University of Brasília, Faculdade UnB Ceilândia, Multidisciplinary Laboratory of Human Health | pt_BR |
| dc.contributor.affiliation | University of Brasília, Faculdade UnB Ceilândia, Multidisciplinary Laboratory of Human Health | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Chemistry, Laboratory of Computational Chemistry | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Chemistry, Laboratory of Computational Chemistry | pt_BR |
| dc.contributor.affiliation | University of Brasília, Faculty of Health Sciences and Medicine, Laboratory of Molecular Cancer Pathology, | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Chemistry, Laboratory of Inorganic Synthesis and Crystallography | pt_BR |
| dc.description.unidade | Faculdade de Ciências da Saúde (FS) | pt_BR |
| dc.description.unidade | Departamento de Farmácia (FS FAR) | pt_BR |
| dc.description.unidade | Instituto de Química (IQ) | pt_BR |
| dc.description.unidade | Faculdade UnB Ceilândia (FCE) | pt_BR |
| Aparece nas coleções: | Artigos publicados em periódicos e afins
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