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Synthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoids

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dc.contributor.authorCabildo Miranda, Mª del Pilar
dc.contributor.authorCornago, María del Pilar
dc.contributor.authorSanz del Castillo, Dionisia
dc.contributor.authorClaramunt, R. M.
dc.contributor.authorAlkorta, Ibon
dc.contributor.authorElguero, J.
dc.contributor.authorGarcia, J. A.
dc.contributor.authorAcuña Castroviejo, Darío
dc.contributor.authorNieto Gómez, Carla Isabel
dc.contributor.authorLópez Peláez, Antonio
dc.date.accessioned2024-05-20T11:58:37Z
dc.date.available2024-05-20T11:58:37Z
dc.date.issued2015-11-14
dc.description.abstractSix 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%.en
dc.description.versionversión final
dc.identifier.doihttp://doi.org/10.1016/j.molstruc.2015.07.055
dc.identifier.issn1872-8014
dc.identifier.urihttps://hdl.handle.net/20.500.14468/12778
dc.journal.titleJournal of Molecular Structure
dc.journal.volume1100
dc.language.isoen
dc.publisherElsevier
dc.relation.centerFacultad de Ciencias
dc.relation.departmentQuímica Orgánica y Bio-Orgánica
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
dc.subject.keywordsFluorinated pyrazoles
dc.subject.keywordsSynthesis
dc.subject.keywords1H, 13C, 19F, 15N NMR
dc.subject.keywordsGIAO calculations
dc.subject.keywordsTautomerism
dc.subject.keywordsNOS inhibition
dc.titleSynthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoidses
dc.typejournal articleen
dc.typeartículoes
dspace.entity.typePublication
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