Orthopalladated tetralone oxime compounds bearing tertiary phosphines: synthesis, structure, biological and in silico studies.
VELASQUES, Jecika M.; SOUZA, Ronan F. F.; SILVA, Débora E. S.; FARIAS, Renan L.; ZANETTI, Renan D.; MOREIRA, Mariete B.; ELLENA, Javier; PEREIRA, José C. M.; MAURO, Antônio E.; OLIVEIRA, Adriano B.; GODOY NETTO, Adelino Vieira de.
VELASQUES, Jecika M.; SOUZA, Ronan F. F.; SILVA, Débora E. S.; FARIAS, Renan L.; ZANETTI, Renan D.; MOREIRA, Mariete B.; ELLENA, Javier; PEREIRA, José C. M.; MAURO, Antônio E.; OLIVEIRA, Adriano B.; GODOY NETTO, Adelino Vieira de.
Abstract: The halido-a-bridge cleavage reactions between [Pd(C2,N-tetrox)(µ-Cl)]2 precursor (tetrox = E-a-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.
@article={003054341,author = {VELASQUES, Jecika M.; SOUZA, Ronan F. F.; SILVA, Débora E. S.; FARIAS, Renan L.; ZANETTI, Renan D.; MOREIRA, Mariete B.; ELLENA, Javier; PEREIRA, José C. M.; MAURO, Antônio E.; OLIVEIRA, Adriano B.; GODOY NETTO, Adelino Vieira de.},title={Orthopalladated tetralone oxime compounds bearing tertiary phosphines: synthesis, structure, biological and in silico studies},journal={Journal of Organometallic Chemistry},note={v. 958, p. 122184-1-122184-13},year={2022}}