1 25 1 https://riquim.fq.edu.uy/files/original/36b9436bfaa9aa68429a49d2b1f6aae7.jpg 6ecc712e862a727ff6240df77d3de40f https://riquim.fq.edu.uy/files/original/9d7052c6db4ea85515d9015440b99599.pdf c845c1000b6329c094a98acfecd6b7ea Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. 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Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Title A name given to the resource Chromene flavanones from Dalea boliviana as xanthine oxidase inhibitors : in vitro biological evaluation and molecular docking studies Subject The topic of the resource FLAVONOIDES CROMEO XANTINA OXIDASA INHIBICION HIPERURICEMIA DALEA BOLIVIANA ACOPLAMIENTO MOLECULAR SABOR BIBLIOGRAFIA NACIONAL QUIMICA 2025 Abstract A summary of the resource. Background: Prenylated flavanones represent a structurally diverse class of natural compounds with significant biological potential. Among them, chromene flavanones (CFs) constitute a rare and specialized subgroup with promising therapeutic applications. These molecules have gained attention due to their potential to inhibit xanthine oxidase (XO), a key enzyme involved in oxidative stress-related disorders such as gout and hyperuricemia. Their distinctive structural features, combined with notable bioactivity, make them compelling candidates for further pharmacological exploration. Given their potential relevance, this study focuses on the in vitro and in silico evaluation of three CFs isolated from Dalea boliviana Britton [Fabacea], assessing their capacity to inhibit XO and elucidating key structure–activity relationships (SARs) that contribute to their biological effectiveness. Purpose: This study aims to investigate the in vitro and in silico interactions of the chromene flavanones, namely, (2S) 5,2′-dihydroxy-6″,6″-dimethylchromeno- (7,8:2″,3″)-flavanone (1), (2S) 5,2′-dihydroxy-6″,6″-dimethylchromeno-(7,8: 2″,3″)-3′-prenylflavanone (2), and obovatin (3), obtained from D. boliviana, with XO, in order to explore their potential as XO inhibitors and their potential therapeutic applications for hyperuricemic diseases. Material and Methods: XO inhibition by the three chromene flavanones was measured spectroscopically. The relationships between their structures and inhibitory activities were evaluated. Moreover, molecular docking studies were performed to propose the binding modes of the most active natural compounds. Results and discussion: Compounds 1 and 2 exhibited potent inhibition, with IC50 values in the nanomolar range (0.5 ± 0.01 nM and 1.7 ± 0.46 nM, respectively), demonstrating significantly higher activity than allopurinol (AL), the reference inhibitor (IC50 = 247 ± 4 nM). In contrast, compound 3 displayed only weak inhibition. SAR analysis revealed that the presence of a chromene moiety in the A-ring, combined with hydroxyl and prenyl groups in the B-ring, played a crucial role in enhancing inhibitory activity. Molecular docking studies confirmed the strong binding affinities of compounds 1 and 2 within the active site of XO (PDB ID: 3NVY), with binding energies of −6.1687 kcal/mol and −6.7820 kcal/mol, respectively. Key stabilizing interactions involved π–π interactions with Phe914 and hydrogen bonding with residues such as Leu873 and Leu1014. These findings highlight the structural features essential for potent XO inhibition and suggest that chromene flavanones represent a valuable scaffold for the development of novel inhibitors. Further molecular dynamics simulations could provide deeper insights into their stability and interaction dynamics, aiding in the rational design of more effective XO inhibitors. Conclusion: Our findings lead us to propose these chromene flavanones as lead compounds for the design and development of novel XO inhibitors for treating diseases in which exacerbated activity of this enzyme is involved. Creator An entity primarily responsible for making the resource Bedoya Aguirre, Einy Nallybe Santi, María Daniela Negro, Melisa Fabiana Echeverría, Javier Paulino Zunini, Margot Peralta, Mariana Andrea Ortega, María Gabriela Source A related resource from which the described resource is derived Frontiers in Pharmacology, v. 16, 2025. -- art. no. 1576390 Publisher An entity responsible for making the resource available Frontiers Date A point or period of time associated with an event in the lifecycle of the resource 2025 Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 9 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.3389/fphar.2025.1576390 Acoplamiento molecular Cromeo Dalea boliviana Hiperuricemia Inhibición Sabor Xantina Oxidasa