Persona:
Nieto Gómez, Carla Isabel

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Nieto Gómez
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Carla Isabel
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2014 - 20164
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Mostrando 1 - 4 de 4
  • Miniatura
    Publicación
    An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism
    (Beilstein-Institut, 2014) Nieto Gómez, Carla Isabel
    This paper reports the 1H, 13C and 15N NMR experimental study of five benzimidazoles in solution and in the solid state (13C and 15N CPMAS NMR) as well as the theoretically calculated (GIAO/DFT) chemical shifts. We have assigned unambiguously the "tautomeric positions" (C3a/C7a, C4/C7 and C5/C6) of NH-benzimidazoles that, in some solvents and in the solid state, appear different (blocked tautomerism). In the case of 1H-benzimidazole itself we have measured the prototropic rate in HMPA-d18.
  • Miniatura
    Publicación
    Fluorination Effects on NOS Inhibitory Activity of Pyrazoles Related to Curcumin
    (MDPI, 2015-08-28) Cabildo Miranda, Mª del Pilar; Cornago, María del Pilar; Sanz, D.; Claramunt, R. M.; Torralba, M. Carmen; Torres, M. Rosario; Elguero, J.; Garcia, J. A.; Acuña Castroviejo, Darío; Nieto Gómez, Carla Isabel; López Peláez, Antonio
    A series of new (E)-3(5)-[β-(aryl)-ethenyl]-5(3)-phenyl-1H-pyrazoles bearing fluorine atoms at different positions of the aryl group have been synthesized starting from the corresponding β-diketones. All compounds have been characterized by elemental analysis, DSC as well as NMR (1H, 13C, 19F and 15N) spectroscopy in solution and in solid state. Three structures have been solved by X-ray diffraction analysis, confirming the tautomeric forms detected by solid state NMR. The in vitro study of their inhibitory potency and selectivity on the activity of nNOS and eNOS (calcium-calmodulin dependent) as well as iNOS (calcium-calmodulin independent) isoenzymes is presented. A qualitative structure–activity analysis allowed the establishment of a correlation between the presence/absence of different substituents with the inhibition data proving that fluorine groups enhance the biological activity. (E)-3(5)-[β-(3-Fluoro-4-hydroxyphenyl)-ethenyl]-5(3)-phenyl-1H-pyrazole (13), is the best inhibitor of iNOS, being also more selective towards the other two isoforms.
  • Miniatura
    Publicación
    Synthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoids
    (Elsevier, 2015-11-14) Cabildo Miranda, Mª del Pilar; Cornago, María del Pilar; Sanz, D.; Claramunt, R. M.; Alkorta, Ibon; Elguero, J.; Garcia, J. A.; Acuña Castroviejo, Darío; Nieto Gómez, Carla Isabel; López Peláez, Antonio
    Six new 3(5)-trifluoromethyl-5(3)-substituted-styryl-1H-pyrazoles have been synthesized and their tautomerism studied in solution and in the solid state. The determination of their structures has been based on multinuclear NMR spectroscopy together with GIAO/B3LYP/6–311++G(d,p) theoretical calculations of eight structures for each pyrazole (two tautomers and four conformations). Five out of the six compounds present inhibition percentages of the iNOS isoform higher than 50%. With regard to the nNOS inhibitory activity, only two of the studied compounds show an inhibition of about 50%. Finally, concerning the eNOS, there is a compound presenting a low percentage of inhibition (40.2%) attaining in the other cases 50%.
  • Miniatura
    Publicación
    Effects of Curcuminoid Pyrazoles on Cancer Cells and on the Expression of Telomerase Related Genes
    (Wiley, 2016-07) Martí Centelles, Rosa; Falomir Ventura, Eva; Carda, Miguel; Cornago, María del Pilar; Claramunt, Rosa María; Nieto Gómez, Carla Isabel
    A group of 13 curcuminoid pyrazoles was investigated for their cytotoxicity on three tumoral cell lines (HT-29, MCF-7, and HeLa) and one non-tumoral human cell line (HEK-293). The values obtained were compared with those of curcumin. A subset of selected derivatives was also studied for their ability to downregulate expression of the hTERT and c-Myc genes, which are both involved in telomerase activity.