Green by Design: Convergent Synthesis, Computational Analyses, and Activity Evaluation of New FXa Inhibitors Bearing Peptide Triazole Linking Units

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dc.catalogadorjca
dc.contributor.authorRodriguez, Diego F.
dc.contributor.authorDuran Osorio, Francisca
dc.contributor.authorDuarte, Yorley
dc.contributor.authorOlivares, Pedro
dc.contributor.authorMoglie, Yanina
dc.contributor.authorDua, Kamal
dc.contributor.authorZacconi, Flavia C. M.
dc.date.accessioned2023-08-25T20:17:41Z
dc.date.available2023-08-25T20:17:41Z
dc.date.issued2022
dc.description.abstractGreen chemistry implementation has led to promising results in waste reduction in the pharmaceutical industry. However, the early sustainable development of pharmaceutically active compounds and ingredients remains a considerable challenge. Herein, we wish to report a green synthesis of new pharmaceutically active peptide triazoles as potent factor Xa inhibitors, an important drug target associated with the treatment of diverse cardiovascular diseases. The new inhibitors were synthesized in three steps, featuring cycloaddition reactions (high atom economy), microwave-assisted organic synthesis (energy efficiency), and copper nanoparticle catalysis, thus featuring Earth-abundant metals. The molecules obtained showed FXa inhibition, with IC50-values as low as 17.2 mu M and no associated cytotoxicity in HEK293 and HeLa cells. These results showcase the environmental potential and chemical implications of the applied methodologies for the development of new molecules with pharmacological potential.
dc.description.funderANID/CONICYT FONDECYT
dc.fechaingreso.objetodigital2023-08-25
dc.format.extent15 páginas
dc.fuente.origenWOS
dc.identifier.doi10.3390/pharmaceutics14010033
dc.identifier.eissn1999-4923
dc.identifier.pubmedidMEDLINE:35056929
dc.identifier.urihttps://doi.org/10.3390/pharmaceutics14010033
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/74505
dc.identifier.wosidWOS:000757992600001
dc.information.autorucEscuela de Química; Zacconi, Flavia C. M. ; 0000-0002-3676-0453; 1011127
dc.issue.numero1
dc.language.isoen
dc.nota.accesoContenido completo
dc.revistaPharmaceutical
dc.rightsacceso abierto
dc.subjectFXa inhibitors
dc.subjectDOACs
dc.subjectGreen chemistry
dc.subjectMicrowave synthesis
dc.subjectClick chemistry
dc.subjectDrug discovery
dc.subjectUllmann-Goldberg reaction
dc.subject.ddc610
dc.subject.deweyMedicina y saludes_ES
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleGreen by Design: Convergent Synthesis, Computational Analyses, and Activity Evaluation of New FXa Inhibitors Bearing Peptide Triazole Linking Units
dc.typeartículo
dc.volumen14
sipa.codpersvinculados1011127
sipa.indexWoS
sipa.trazabilidadWOS;18-03-2022
sipa.trazabilidadORCID;2023-08-21
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