1
25
5
-
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6ecc712e862a727ff6240df77d3de40f
https://riquim.fq.edu.uy/files/original/9d7052c6db4ea85515d9015440b99599.pdf
c845c1000b6329c094a98acfecd6b7ea
Dublin Core
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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.
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Departamento de Documentación y Biblioteca
RIQUIM
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PDF
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> 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)</p>
<p><strong>ADVERTENCIA -</strong> 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.</p>
Title
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<strong>Chromene flavanones from Dalea boliviana as xanthine oxidase inhibitors : in vitro biological evaluation and molecular docking studies</strong>
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
<strong>Bedoya Aguirre, Einy Nallybe</strong>
<strong>Santi, María Daniela</strong>
<strong>Negro, Melisa Fabiana</strong>
<strong>Echeverría, Javier</strong>
<strong>Paulino Zunini, Margot</strong>
<strong>Peralta, Mariana Andrea</strong>
<strong>Ortega, María Gabriela</strong>
Source
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Frontiers in Pharmacology, v. 16, 2025. -- art. no. 1576390
Publisher
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Frontiers
Date
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2025
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PDF
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9 p.
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Inglés
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Artículo
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10.3389/fphar.2025.1576390
Acoplamiento molecular
Cromeo
Dalea boliviana
Hiperuricemia
Inhibición
Sabor
Xantina Oxidasa
-
https://riquim.fq.edu.uy/files/original/e76067fedda9d0f1ee7e5ad3c059e747.pdf
1f04f299225b65f692050aa0b1d7c3a0
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3
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Title
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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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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
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<strong>Prenylated flavonoids from Dalea genus as xanthine oxidase inhibitors: in vitro bioactivity evaluation and molecular docking studies</strong>
Subject
The topic of the resource
FLAVONOIDES
XANTINA OXIDASA
ACOPLAMIENTO MOLECULAR
HIPERURICEMIA
BIBLIOGRAFIA NACIONAL QUIMICA
2023
Abstract
A summary of the resource.
Prenylated flavanones are a family of compounds with an important biological potential. Previously, anti tyrosinase activity, acetylcholinesterase inhibitory activity, and neuroprotective effects of several prenyl flava nones isolated from different American Dalea genus species were reported. The biological potency of these kinds of compounds, together with the particularity of their chemical structures, encouraged us to investigate them for in vitro and in silico anti-xanthine oxidase activity. So, five prenyl-flavanones obtained from different Dalea sp (Dalea elegans, Dalea boliviana, and Dalea pazensis) were studied and the relationships between the structure of these prenyl-flavanones and their inhibitory activity were evaluated. Molecular docking studies were performed in order to propose the binding mode of the most active natural compound. 2′,4′-dihydroxy-5′-(1‴,1‴-dimethy lallyl)-8-prenylpinocembrin (1) was the most active in this series showing an IC50 of 0.26 ± 0.07 µM comparable with the reference inhibitor, allopurinol. The presence of 5,7,2′,4′-tetrahydroxy substitution, accompanied by a prenyl group at 8-position in the A-ring, and a 5′ (1‴,1‴-dimethylallyl) were important to present a xanthine oxidase inhibitory activity. This fact was confirmed with molecular docking studies showing relevant interactions of 1 with the residues of the catalytic site of xanthine oxidase, and a binding energy of − 7.3297 kcal mol− 1 . These results contributed not only to understanding the binding mode but also to validating the in vitro results. The obtained findings lead us to propose these prenyl-flavanones as lead compounds for the design and devel opment of novel xanthine oxidase inhibitors for the treatment of diseases in which this enzyme is involved.
Creator
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<strong>Santi, M.D.</strong>
<strong>Bedoya Aguirre, E.</strong>
<strong>Negro, M.F.</strong>
<strong>Zunini, M. Paulino</strong>
<strong>Peralta, M.A.</strong>
<strong>Ortega, M. G.</strong>
Source
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Results in Chemistry v.6, 2023. -- e101115
Publisher
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Elsevier
Date
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2023
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> 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)</p>
<p><strong>ADVERTENCIA -</strong> 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.</p>
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PDF
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7 p.
Language
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Inglés
Type
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Artículo
Identifier
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10.1016/j.rechem.2023.101115
Acoplamiento molecular
Flavonoides
Hiperuricemia
Xantina Oxidasa
-
https://riquim.fq.edu.uy/files/original/77eb32279fec29396d4a5ea84cc2550d.pdf
c2adb5b031a54fddeea7bbbb898c685d
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Omeka Image File
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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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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
A name given to the resource
<strong>Antioxidant capacity and NF-kB-mediated anti-inflammatory activity of six red uruguayan grape pomaces</strong>
Subject
The topic of the resource
ORUJO DE UVA
FENOLES
ANTIOXIDANTES
ACOPLAMIENTO MOLECULAR
BIBLIOGRAFIA NACIONAL QUIMICA
2023
Abstract
A summary of the resource.
Grape pomaces have a wide and diverse antioxidant phenolics composition. Six Uruguayan red grape pomaces were evaluated in their phenolics composition, antioxidant capacity, and anti inflammatory properties. Not only radical scavenging methods as DPPH· and ABTS·+ were employed but also ORAC and FRAP analyses were applied to assess the antioxidant potency of the extracts. The antioxidant reactivity of all extracts against hydroxyl radicals was assessed with ESR. The phenol profile of the most bioactive extract was analyzed by HPLC-MS, and a set of 57 structures were determined. To investigate the potential anti-inflammatory activity of the extracts, Nuclear Factor kappa-B (NF-κB) modulation was evaluated in the human colon cancer reporter cell line (HT-29-NF-κB-hrGFP). Our results suggest that Tannat grapes pomaces have higher phenolic content and antioxidant capacity compared to Cabernet Franc. These extracts inhibited TNF-alpha mediated NF-κB activation and IL-8 production when added to reporter cells. A molecular docking study was carried out to rationalize the experimental results allowing us to propose the proactive interaction between the NF-κB, the grape extracts phenols, and their putative anti-inflammatory bioactivity. The present findings show that red grape pomace constitutes a sustainable source of phenolic compounds, which may be valuable for pharmaceutical, cosmetic, and food industry applications.
Creator
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<strong>Fariña, Emiliana</strong>
<strong>Daghero, Hellen</strong>
<strong>Bollati Fogolín, Mariela</strong>
<a href="https://export.cvuy.uy/cv/?e1ba7de0d572172f427d637a61cf7ffedcaca3f4642b955065a2f3a72fb70a03516776171609b3227f51a8c2647cd41dcfe25b5f501e985b684341e0de901a45" target="_blank"><strong>Boido, Eduardo</strong></a>
<strong>Cantero, Jorge</strong>
<strong>Moncada Basualto, Mauricio</strong>
<strong>Olea-Azar, Claudio</strong>
<strong>Polticelli, Fabio</strong>
<a href="https://export.cvuy.uy/cv/?8e4377ca77382678fd5af0d455590aa18a44e65bac89340cfafbbd41152343acd96dc3153f75f2fdf08a92578f213300543d33a6754527876021976e495c507b" target="_blank"><strong>Paulino, Margot</strong></a>
Source
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Molecules v.28, n°9, 2023. -- e3909
Publisher
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MDPI
Date
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2023
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> 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)</p>
<p><strong>ADVERTENCIA -</strong> 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.</p>
Format
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PDF
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17 p.
Language
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Inglés
Type
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<p>Artículo</p>
<p> </p>
Identifier
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10.3390/molecules28093909
Acoplamiento molecular
Antioxidantes
Fenoles
Orujo de Uva
-
https://riquim.fq.edu.uy/files/original/1cb43f81ed96f221765ac57f121a851a.pdf
c845c1000b6329c094a98acfecd6b7ea
https://riquim.fq.edu.uy/files/original/faa14b29295203afe6acdbc1f2af0a25.PNG
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110
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Title
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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.
Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
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<strong>The anti-snake activity of Nectandra angustifolia flavonoids on phospholipase A2: In vitro and in silico evaluation</strong>
Subject
The topic of the resource
MORDEDURA DE SERPIENTE
FLAVONOIDES
FITOTERAPIA
ACOPLAMIENTO MOLECULAR
BIBLIOGRAFIA NACIONAL QUIMICA
2023
Abstract
A summary of the resource.
Ethnopharmacological relevance: Lauraceae family includes Nectandra angustifolia a species widely used in the folk medicine of South America against various maladies. It is commonly used to treat different types of processes like inflammation, pain, and snakebites. Snakes of the Bothrops genus are responsible for about 97% of the ophidic accidents in northeastern Argentina. Aim of the study: To evaluate the anti-snake activity of the phytochemicals present in N. angustifolia extracts, identify the compounds, and evaluate their inhibitory effect on phospholipase A2 (PLA2) with in vitro and in silico assays. Methods: Seasonal variations in the alexiteric potential of aqueous, ethanolic and hexanic extracts were evaluated by inhibition of coagulant, haemolytic, and cytotoxic effects of B. diporus venom. The chemical identity of an enriched fraction obtained by bio-guided fractioning was established by UPLC-MS/MS analysis. Molecular docking studies were carried out to investigate the binding mechanisms of the identified compounds to PLA2 enzyme from snake venom. Results: All the extracts inhibited venom coagulant activity. However, spring ethanolic extract achieved 100% inhibition of haemolytic activity. Bio-guide fractioning led to an enriched fraction (F4) with the highest haemolytic inhibition. Five flavonoids were identified in this fraction; molecular docking and Molecular Dynamics (MD) simulations indicated the binding mechanisms of the identified compounds. The carbohydrates present in some of the compounds had a critical effect on the interaction with PLA2. Conclusion: This study shows, for the first time, which compounds are responsible for the anti-snake activity in Nectandra angustifolia based on in vitro and in silico assays. The results obtained in this work support the traditional use of this species as anti-snake in folk medicine.
Creator
An entity primarily responsible for making the resource
<strong>Torres, Ana María</strong>
<strong>Ojeda, Gonzalo Adrián</strong>
<strong>Angelina, Emilio</strong>
<strong>Bustillo, Soledad</strong>
<strong>Peruchena, Nélida</strong>
<strong>Tonidandel, Loris</strong>
<strong>Larcher, Roberto</strong>
<strong>Nardin, Tiziana</strong>
<strong>Dellacassa, Eduardo</strong>
Source
A related resource from which the described resource is derived
Journal of Ethnopharmacology v. 302, 2023. -- e115889
Publisher
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Elsevier
Date
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2023
Rights
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<div class="element-text">
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> 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)</p>
<p><strong>ADVERTENCIA -</strong> 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.</p>
</div>
Format
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PDF
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9 p.
Language
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Inglés
Type
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Artículo
Identifier
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10.1016/j.jep.2022.115889
Acoplamiento molecular
Fitoterapia
Flavonoides
Mordedura de serpiente
-
https://riquim.fq.edu.uy/files/original/dc1c113fa91e5921e7d2fff740238931.pdf
d9d17bf5a7306ad9731d50c151567477
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Omeka Image File
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51
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176
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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
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Original Format
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PDF
Dublin Core
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Title
A name given to the resource
<strong>Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme CYP26A</strong>
Subject
The topic of the resource
ACIDO RETINOICO
ENZIMAS
ACOPLAMIENTO MOLECULAR
BIBLIOGRAFIA NACIONAL QUIMICA
2016
Abstract
A summary of the resource.
A new CYP26A1 homology model was built based on the crystal structure of cyanobacterial CYP120A1. The model quality was examined for stereochemical accuracy, folding reliability, and absolute quality using a variety of different bioinformatics tools. Furthermore, the docking capabilities of the model were assessed by docking of the natural substrate all-trans-retinoic acid (atRA), and a group of known azole- and tetralone-based CYP26A1 inhibitors. The preferred binding pose of atRA suggests the (4S)-OH-atRA metabolite production, in agreement with recently available experimental data. The distances between the ligands and the heme group iron of the enzyme are in agreement with corresponding distances obtained for substrates and azole inhibitors for other cytochrome systems. The calculated theoretical binding energies agree with recently reported experimental data and show that the model is capable of discriminating between natural substrate, strong inhibitors (R116010 and R115866), and weak inhibitors (liarozole, fluconazole, tetralone derivatives).
Creator
An entity primarily responsible for making the resource
<strong>Awadalla, Mohamed K. A.</strong>
<strong>Alshammari, Thamir M.</strong>
<strong>Eriksson, Leif A.</strong>
<a title="Currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=f4e5f5966e2f949cc6ad308da8978be6" target="_blank"><strong>Sáenz, Patricia</strong></a>
Source
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Molecules v. 21, 2016. -- 13 p. e21030351
Publisher
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MDPI
Date
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2016
Rights
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<p align="LEFT"><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p style="margin-bottom: 0cm;"><strong>ADVERTENCIA</strong> - 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.</p>
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PDF
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Inglés
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Artículo
Identifier
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doi:10.3390/molecules21030351
Ácido retinoico
Acoplamiento molecular
Enzimas