Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines

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dc.contributor.authorPolo Cuadrado, Efraín
dc.contributor.authorRojas Peña, Cristian
dc.contributor.authorAcosta Quiroga, Karen
dc.contributor.authorCamargo Ayala, Lorena
dc.contributor.authorBrito, Iván
dc.contributor.authorCisterna, Jonathan
dc.contributor.authorMoncada, Félix
dc.contributor.authorTrilleras, Jorge
dc.contributor.authorRodríguez Núñez, Yeray A.
dc.contributor.authorGutierrez, Margarita
dc.date.accessioned2023-05-03T18:38:18Z
dc.date.available2023-05-03T18:38:18Z
dc.date.issued2022-11-17
dc.descriptionIndexación: Scopus.es
dc.description.abstractPyrazole-fused phenanthroline compounds were obtained through several synthetic routes. NMR, HRMS, and IR techniques were used to characterize and confirm the chemical structures. Crystal structures were obtained from compounds 3a, 5b, 5j, 5k, and 5n and analyzed using X-ray diffraction. Compounds were evaluated as acetyl (AChE) and butyrylcholinesterase (BChE) inhibitors, and the results showed a moderate activity. Compound 5c presented the best activity against AChE (IC50 = 53.29 μM) and compound 5l against BChE enzyme (IC50 = 119.3 μM). Furthermore, the ability of the synthetic compounds to scavenge cationic radicals DPPH and ABTS was evaluated. Compound 5e (EC50 = 26.71 μg mL−1) presented the best results in the DPPH assay, and compounds 5e, 5f and 5g (EC50 = 11.51, 3.10 and <3 μg mL−1, respectively) showed better ABTS cationic radical scavenging results. Finally, in silico analyses indicated that 71% of the compounds show good oral availability and are within the ranges established by the Lipinski criteria. © 2022 The Royal Society of Chemistry.es
dc.description.urihttps://pubs.rsc.org/en/content/articlelanding/2022/RA/D2RA05532E
dc.identifier.citationRSC Advances, Volume 12, Issue 51, Pages 33032 - 3304817 November 2022es
dc.identifier.doi10.1039/d2ra05532e
dc.identifier.issn2046-2069
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/49215
dc.language.isoenes
dc.publisherRoyal Society of Chemistryes
dc.rights.licenseAtribución-NoComercial 4.0 Internacional (CC BY-NC 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by-nc/4.0/deed.es
dc.subjectAnticholinesterase activitieses
dc.subjectAntioxidant activitieses
dc.subjectButyrylcholinesterasees
dc.subjectCationicses
dc.subjectDesign synthesises
dc.subjectFused phenanthrolinees
dc.subjectIR techniqueses
dc.subjectPyrazoleses
dc.subjectSynthetic routeses
dc.subjectTheoretical studyes
dc.titleDesign, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolineses
dc.typeArtículoes
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