Resumen
Los flavonoides constituyen un grupo de metabolitos vegetales de alto interés por su diversidad estructural y por la influencia que sus modificaciones químicas ejercen sobre sus propiedades moleculares. En este estudio se caracterizó la diversidad estructural y el espacio químico de flavonoides reportados en recursos vegetales latinoamericanos mediante la integración y depuración de datos abiertos provenientes de COCONUT y PubChem. La metodología se sustentó en la construcción de un corpus regional, su depuración estricta por consistencia química y procedencia biológica, la integración nominal con PubChem y el análisis descriptivo y multivariado de descriptores fisicoquímicos. Los resultados mostraron un conjunto estructuralmente heterogéneo, con predominio de flavonoides metoxilados y glucosilados, alta trazabilidad química entre bases y una organización discernible del espacio químico. En conjunto, el estudio aporta una ruta reproducible para explorar metabolitos naturales latinoamericanos mediante herramientas quimioinformáticas.
Citas
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