Ester of Quinoxaline-7-carboxylate 1,4-di-N-oxide as Apoptosis Inductors in K-562 Cell Line: An in vitro, QSAR and DFT Study

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AudienciaPúblico en generales_ES
CoberturaMéxicoes_ES
Fecha de ingreso2026-09-15T00:31:00Z
Fecha de publicación2016-07-15
ResumenBACKGROUND: Quinoxalines have shown a wide variety of biological activities including as antitumor agents. The aims of this study were to evaluate the activity of quinoxaline 1,4-di-N-oxide derivatives on K562 cells, the establishment of the mechanism of induced cell death, and the construction of predictive QSAR models. MATERIAL AND METHODS: Sixteen esters of quinoxaline-7-carboxylate 1,4-di-N-oxide were evaluated for antitumor activity on K562 chronic myelogenous leukemia cells and their IC50 values were determined. The mechanism of induced cell death by the most active molecule was assessed by flow cytometry and an in silico study was conducted to optimize and calculate theoretical descriptors of all quinoxaline 1,4-di-N-oxide derivatives. QSAR and QPAR models were created using genetic algorithms. RESULTS & CONCLUSIONS: Our results show that compounds C5, C7, C10, C12 and C15 had the lowest IC50 of the series. C15 was the most active compound (IC50= 3.02 μg/mL), inducing caspase-dependent apoptotic cell death via the intrinsic pathway. QSAR and QPAR studies are discussed.es_ES
Doihttps://doi.org/10.2174/1871520616666160630175927es_ES
URIhttps://riuat.uat.edu.mx/handle/123456789/2732
Idiomaenes_ES
EditorialBentham Science Publisherses_ES
RelaciónAnti-Cancer Agents in Medicinal Chemistryes_ES
URL relacionadohttps://doi.org/10.2174/1871520616666160630175927es_ES
DerechosAcceso restringido / Suscripción (Metadatos de producción científica)es_ES
Licenciahttp://purl.org/coar/access_right/c_16eces_ES
FuenteAnti-Cancer Agents in Medicinal Chemistry
Palabra claveQuinoxalinees_ES
Palabra claveQuantitative structure–activity relationshipes_ES
Palabra claveApoptosises_ES
Palabra claveChemistryes_ES
Palabra claveIn vitroes_ES
Palabra claveStereochemistryes_ES
Palabra claveOxidees_ES
Palabra claveCell culturees_ES
Palabra claveCombinatorial chemistryes_ES
Palabra claveComputational chemistryes_ES
Palabra claveBiochemistryes_ES
Palabra claveOrganic chemistryes_ES
ClasificaciónSynthesis and Biological Evaluationes_ES
TítuloEster of Quinoxaline-7-carboxylate 1,4-di-N-oxide as Apoptosis Inductors in K-562 Cell Line: An in vitro, QSAR and DFT Studyes_ES
TipoArtículoes_ES
ArbitradoHa sido Arbitradoes_ES
AutorRivera, Gildardo
AutorAndrade-Ochoa, Sergio
AutorOrtega-Romero, Manolo
AutorPalos, Isidro
AutorMonge, Antonio
AutorSánchez‐Torres, Luvia Enid
AutorRivera, Gildardoes_ES
AutorAndrade-Ochoa, Sergioes_ES
AutorOrtega-Romero, Manoloes_ES
AutorPalos, Isidroes_ES
AutorMonge, Antonioes_ES
AutorSánchez‐Torres, Luvia Enides_ES
InstituciónUniversidad Autónoma de Tamaulipas
InstituciónUniversidad Autónoma de Tamaulipases_ES
Número5es_ES
Rango de páginas682-691es_ES
URL relacionadahttps://doi.org/10.2174/1871520616666160630175927
Tipo de artículoIndexado
Tipo de artículoIndexadoes_ES
Volumen17es_ES

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