Title:	Organometallic gold (III) and platinum (II) complexes with thiosemicarbazone : structural behavior, anticancer activity, and molecular docking
Authors:	Almeida, Carolane M. Marcon, Pedro Henrique Salgado Nascimento, Erica Cristina Moreno Martins, João B. L. Chagas, Marcio A. S. Fujimori, Mahmi Marchi, Patrícia Gelli Feres De França, Eduardo L. Honorio-França, Adenilda C. Gatto, Claudia Cristina
metadata.dc.contributor.email:	mailto:ccgatto@unb.br
metadata.dc.identifier.orcid:	https://orcid.org/0000-0002-9531-6432 https://orcid.org/0000-0001-9950-1128 https://orcid.org/0000-0003-1365-177X https://orcid.org/0000-0001-8677-3239 https://orcid.org/0000-0003-0763-6514 https://orcid.org/0000-0002-1646-8738 https://orcid.org/0000-0001-7940-4478 https://orcid.org/0000-0002-1854-5397 https://orcid.org/0000-0002-0452-9804 https://orcid.org/0000-0002-3736-6861
Assunto::	Atividade anticâncer Complexos organometálicos Tiossemicarbazona
Issue Date:	30-May-2022
Publisher:	Wiley
Citation:	ALMEIDA, Carolane M. et al. Organometallic gold (III) and platinum (II) complexes with thiosemicarbazone: structural behavior, anticancer activity, and molecular docking. Applied Organometallic Chemistry, v. 26, n. 8, art. e6761, ago. 2022. DOI 10.1002/aoc.6761. Disponível em: https://onlinelibrary.wiley.com/journal/10990739. Acesso em: 14 set. 2022.
Abstract:	This study reports the synthesis and characterization of two new organometallic Au (III) and Pt (II) complexes with 2-acetylthiophene-N(3)- methylthiosemicarbazone (HL). The characterization of the compounds was performed by single-crystal X-ray diffraction and spectroscopic techniques (Fourier transform infrared (FT-IR), UV–Vis, electrospray ionization (ESI)(+)-mass spectrometry (MS), and nuclear magnetic resonance (NMR)). The MS data indicated the presence in the solution of the molecular ion [H2L]+ and characteristic fragmentations of the ligand. The thiosemicarbazone is coordinated to the Au (III) and Pt (II) in tridentate mode through the CNS chelating system. The two metal atoms show a distorted square geometry including chloride ion or triphenylphosphine to complete the coordination sphere. The 3D Hirshfeld surface and the 2D fingerprint results were analyzed quantitatively to verify interactions upon the molecular packing. The biological activity of the free thiosemicarbazone and their complexes have been evaluated against the MCF-7 human cancer cell line. Molecular docking was used to predict the inhibitory activity of the compounds.
metadata.dc.description.unidade:	Instituto de Química (IQ)
DOI:	https://doi.org/10.1002/aoc.6761
Appears in Collections:	Artigos publicados em periódicos e afins

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