Orthopalladated tetralone oxime compounds bearing tertiary phosphines: Synthesis, structure, biological and in silico studies
| Autor: | Renan D. Zanetti, Adelino Vieira de Godoy Netto, Renan Lira de Farias, Débora E.S. Silva, Ronan F.F. De Souza, Antonio Eduardo Mauro, Jecika M. Velasques, Javier Ellena, Adriano Bof de Oliveira, José Clayston Melo Pereira, Mariete Barbosa Moreira |
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| Přispěvatelé: | Universidade Estadual Paulista (UNESP), Universidade Estadual de Londrina (UEL), Universidade de São Paulo (USP), Universidade Federal de Sergipe (UFS) |
| Rok vydání: | 2022 |
| Předmět: |
Tris
Cyclopalladated complex ANTIFÚNGICOS (ATIVIDADE) Organic Chemistry HSA DNA Human serum albumin Cleavage (embryo) Oxime Biochemistry Medicinal chemistry Inorganic Chemistry chemistry.chemical_compound chemistry Oximes Materials Chemistry Tetralone medicine Molecule Physical and Theoretical Chemistry Single crystal Phosphine medicine.drug |
| Zdroj: | Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual) Universidade de São Paulo (USP) instacron:USP Scopus Repositório Institucional da UNESP Universidade Estadual Paulista (UNESP) instacron:UNESP |
| ISSN: | 0022-328X |
| Popis: | Made available in DSpace on 2022-04-29T08:36:57Z (GMT). No. of bitstreams: 0 Previous issue date: 2022-01-15 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) The halido-α-bridge cleavage reactions between [Pd(C2,N-tetrox)(μ-Cl)]2 precursor (tetrox = E-α-tetralone oxime) with phosphines, in 1:2 molar ratio, have afforded mononuclear cyclopalladated compounds of the type [PdCl(C2,N-tetrox)(L)] {L = triphenylphosphine (1); tris(4-methylphenyl)phosphine (2); tris(4-fluorophenyl)phosphine (3) and tris(4-methoxyphenyl)phosphine (4)}. The compounds have been characterized by elemental analyses, infrared (FT-IR) and 1H, 13C{1H} and 31P{1H}-NMR spectroscopies. The molecular structure of 3 has been determined by single crystal X-ray diffraction (SC-XRD) and the Hirshfeld Surface calculation (HS) has been performed. The antiproliferative activity of compounds 1–4 has been evaluated against breast (MCF-7) and lung (A549) human cancer cells, and human lung fibroblast (MRC-5). All cyclopalladated compounds have been more active than cisplatin against MCF-7 cells, with IC50 values ranging from 19 to 26 µM. Binding experiments involving compound 3 with ct-DNA and human serum albumin (HSA) have been carried out using spectroscopic techniques. The interaction between compound 3 and HSA has been studied by means of molecular docking. UNESP – Univ Estadual Paulista Institute of Chemistry Department of Analytical Physical Chemistry and Inorganic Chemistry UEL – Univ Estadual de Londrina Departamento de Química USP – Univ de São Paulo Instituto de Física de São Carlos UFS – Univ Federal de Sergipe Departamento de Química UNESP – Univ Estadual Paulista Institute of Chemistry Department of Analytical Physical Chemistry and Inorganic Chemistry FAPESP: 2012/15486–3 FAPESP: 2016/177115 FAPESP: 422105/2016–3 FAPESP: 475322/2009–6 |
| Databáze: | OpenAIRE |
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