In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols

Autores
Alvareda, Elena; Iribarne, Federico; Espinosa, Victoria; Miranda, Pablo; Santi, María Daniela; Aguilera, Sara; Bustos, Pamela Soledad; Paulino Zunini, Margot
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The use of food additives with xanthine oxidase (XO) inhibitory activity offersan alternative approach to hyperuricemic and gout disease treatment, andprovides an example of antioxidant nutraceutics. The in vitro and in silicoXO inhibitory activity of polyphenols from Uruguayan Tannat grape pomacesand propolis extracts was evaluated as well as the scavenging capacity ofsaid compounds. When comparing propolis and grape pomace samples, thein vitro studies demonstrated that polyphenols extracted from propolis aremore active as free radical scavengers than those from Tannat grape pomace.Both natural products effectively inhibited XO but the capacity of phenolspresent in GP is higher than the one present in P. The high content of anthocyaninsin GP, absent in P, could account for this observation. In silico assaysallowed us to determine relevant ligand-receptor interactions between polyphenols,from a database built with previously reported polyphenols fromboth natural products, and the active site of XO. The in silico results showedthat compound (E)-isoprenylcaffeate from propolis was the best potential XOinhibitor displaying hydrophobic aromatic interaction between the conjugatedring of the caffeate moiety and polar interactions between hydroxylgroups from caffeate with the active site polar residues. Among grape pomaces, the Cyanidin-3-O-(6-(E)-p-coumaroyl)-glucoside was the best XO inhibitor;its moiety oxychromenyl being relevant to the docking stabilization.All these results lead us to propose Uruguayan propolis and Tannat grapepomace extracts as food additives as well as phytopharmaceuticals to decreasethe uric acid levels in gout disease and to act against oxidative stress.
Fil: Alvareda, Elena. Centro de Bioinformática Estructural; Uruguay
Fil: Iribarne, Federico. Centro de Bioinformática Estructural; Uruguay
Fil: Espinosa, Victoria. Facultad de Ciencias Médicas; Chile
Fil: Miranda, Pablo. Centro de Bioinformática Estructural; Uruguay
Fil: Santi, María Daniela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; Argentina
Fil: Aguilera, Sara. Facultad de Ciencias; Chile
Fil: Bustos, Pamela Soledad. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; Argentina
Fil: Paulino Zunini, Margot. Centro de Bioinformática Estructural; Uruguay
Materia
PROPOLIS
TANNAT GRAPE POMACE
XANTINE OXIDASE INHIBITION
POLYPHENOLS
FUNCIONAL FOODS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/109558
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis PoliphenolsAlvareda, ElenaIribarne, FedericoEspinosa, VictoriaMiranda, PabloSanti, María DanielaAguilera, SaraBustos, Pamela SoledadPaulino Zunini, MargotPROPOLISTANNAT GRAPE POMACEXANTINE OXIDASE INHIBITIONPOLYPHENOLSFUNCIONAL FOODShttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1The use of food additives with xanthine oxidase (XO) inhibitory activity offersan alternative approach to hyperuricemic and gout disease treatment, andprovides an example of antioxidant nutraceutics. The in vitro and in silicoXO inhibitory activity of polyphenols from Uruguayan Tannat grape pomacesand propolis extracts was evaluated as well as the scavenging capacity ofsaid compounds. When comparing propolis and grape pomace samples, thein vitro studies demonstrated that polyphenols extracted from propolis aremore active as free radical scavengers than those from Tannat grape pomace.Both natural products effectively inhibited XO but the capacity of phenolspresent in GP is higher than the one present in P. The high content of anthocyaninsin GP, absent in P, could account for this observation. In silico assaysallowed us to determine relevant ligand-receptor interactions between polyphenols,from a database built with previously reported polyphenols fromboth natural products, and the active site of XO. The in silico results showedthat compound (E)-isoprenylcaffeate from propolis was the best potential XOinhibitor displaying hydrophobic aromatic interaction between the conjugatedring of the caffeate moiety and polar interactions between hydroxylgroups from caffeate with the active site polar residues. Among grape pomaces, the Cyanidin-3-O-(6-(E)-p-coumaroyl)-glucoside was the best XO inhibitor;its moiety oxychromenyl being relevant to the docking stabilization.All these results lead us to propose Uruguayan propolis and Tannat grapepomace extracts as food additives as well as phytopharmaceuticals to decreasethe uric acid levels in gout disease and to act against oxidative stress.Fil: Alvareda, Elena. Centro de Bioinformática Estructural; UruguayFil: Iribarne, Federico. Centro de Bioinformática Estructural; UruguayFil: Espinosa, Victoria. Facultad de Ciencias Médicas; ChileFil: Miranda, Pablo. Centro de Bioinformática Estructural; UruguayFil: Santi, María Daniela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; ArgentinaFil: Aguilera, Sara. Facultad de Ciencias; ChileFil: Bustos, Pamela Soledad. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; ArgentinaFil: Paulino Zunini, Margot. Centro de Bioinformática Estructural; UruguayScientific Research Publishing2019-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/109558Alvareda, Elena; Iribarne, Federico; Espinosa, Victoria; Miranda, Pablo; Santi, María Daniela; et al.; In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols; Scientific Research Publishing; Journal of Biophysical Chemistry; 10; 01; 2-2019; 1-142153-03782153-036XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.scirp.org/journal/paperinformation.aspx?paperid=91551info:eu-repo/semantics/altIdentifier/doi/10.4236/jbpc.2019.101001info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:54:03Zoai:ri.conicet.gov.ar:11336/109558instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:54:04.017CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
title In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
spellingShingle In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
Alvareda, Elena
PROPOLIS
TANNAT GRAPE POMACE
XANTINE OXIDASE INHIBITION
POLYPHENOLS
FUNCIONAL FOODS
title_short In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
title_full In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
title_fullStr In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
title_full_unstemmed In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
title_sort In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols
dc.creator.none.fl_str_mv Alvareda, Elena
Iribarne, Federico
Espinosa, Victoria
Miranda, Pablo
Santi, María Daniela
Aguilera, Sara
Bustos, Pamela Soledad
Paulino Zunini, Margot
author Alvareda, Elena
author_facet Alvareda, Elena
Iribarne, Federico
Espinosa, Victoria
Miranda, Pablo
Santi, María Daniela
Aguilera, Sara
Bustos, Pamela Soledad
Paulino Zunini, Margot
author_role author
author2 Iribarne, Federico
Espinosa, Victoria
Miranda, Pablo
Santi, María Daniela
Aguilera, Sara
Bustos, Pamela Soledad
Paulino Zunini, Margot
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv PROPOLIS
TANNAT GRAPE POMACE
XANTINE OXIDASE INHIBITION
POLYPHENOLS
FUNCIONAL FOODS
topic PROPOLIS
TANNAT GRAPE POMACE
XANTINE OXIDASE INHIBITION
POLYPHENOLS
FUNCIONAL FOODS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The use of food additives with xanthine oxidase (XO) inhibitory activity offersan alternative approach to hyperuricemic and gout disease treatment, andprovides an example of antioxidant nutraceutics. The in vitro and in silicoXO inhibitory activity of polyphenols from Uruguayan Tannat grape pomacesand propolis extracts was evaluated as well as the scavenging capacity ofsaid compounds. When comparing propolis and grape pomace samples, thein vitro studies demonstrated that polyphenols extracted from propolis aremore active as free radical scavengers than those from Tannat grape pomace.Both natural products effectively inhibited XO but the capacity of phenolspresent in GP is higher than the one present in P. The high content of anthocyaninsin GP, absent in P, could account for this observation. In silico assaysallowed us to determine relevant ligand-receptor interactions between polyphenols,from a database built with previously reported polyphenols fromboth natural products, and the active site of XO. The in silico results showedthat compound (E)-isoprenylcaffeate from propolis was the best potential XOinhibitor displaying hydrophobic aromatic interaction between the conjugatedring of the caffeate moiety and polar interactions between hydroxylgroups from caffeate with the active site polar residues. Among grape pomaces, the Cyanidin-3-O-(6-(E)-p-coumaroyl)-glucoside was the best XO inhibitor;its moiety oxychromenyl being relevant to the docking stabilization.All these results lead us to propose Uruguayan propolis and Tannat grapepomace extracts as food additives as well as phytopharmaceuticals to decreasethe uric acid levels in gout disease and to act against oxidative stress.
Fil: Alvareda, Elena. Centro de Bioinformática Estructural; Uruguay
Fil: Iribarne, Federico. Centro de Bioinformática Estructural; Uruguay
Fil: Espinosa, Victoria. Facultad de Ciencias Médicas; Chile
Fil: Miranda, Pablo. Centro de Bioinformática Estructural; Uruguay
Fil: Santi, María Daniela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; Argentina
Fil: Aguilera, Sara. Facultad de Ciencias; Chile
Fil: Bustos, Pamela Soledad. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; Argentina
Fil: Paulino Zunini, Margot. Centro de Bioinformática Estructural; Uruguay
description The use of food additives with xanthine oxidase (XO) inhibitory activity offersan alternative approach to hyperuricemic and gout disease treatment, andprovides an example of antioxidant nutraceutics. The in vitro and in silicoXO inhibitory activity of polyphenols from Uruguayan Tannat grape pomacesand propolis extracts was evaluated as well as the scavenging capacity ofsaid compounds. When comparing propolis and grape pomace samples, thein vitro studies demonstrated that polyphenols extracted from propolis aremore active as free radical scavengers than those from Tannat grape pomace.Both natural products effectively inhibited XO but the capacity of phenolspresent in GP is higher than the one present in P. The high content of anthocyaninsin GP, absent in P, could account for this observation. In silico assaysallowed us to determine relevant ligand-receptor interactions between polyphenols,from a database built with previously reported polyphenols fromboth natural products, and the active site of XO. The in silico results showedthat compound (E)-isoprenylcaffeate from propolis was the best potential XOinhibitor displaying hydrophobic aromatic interaction between the conjugatedring of the caffeate moiety and polar interactions between hydroxylgroups from caffeate with the active site polar residues. Among grape pomaces, the Cyanidin-3-O-(6-(E)-p-coumaroyl)-glucoside was the best XO inhibitor;its moiety oxychromenyl being relevant to the docking stabilization.All these results lead us to propose Uruguayan propolis and Tannat grapepomace extracts as food additives as well as phytopharmaceuticals to decreasethe uric acid levels in gout disease and to act against oxidative stress.
publishDate 2019
dc.date.none.fl_str_mv 2019-02
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/109558
Alvareda, Elena; Iribarne, Federico; Espinosa, Victoria; Miranda, Pablo; Santi, María Daniela; et al.; In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols; Scientific Research Publishing; Journal of Biophysical Chemistry; 10; 01; 2-2019; 1-14
2153-0378
2153-036X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/109558
identifier_str_mv Alvareda, Elena; Iribarne, Federico; Espinosa, Victoria; Miranda, Pablo; Santi, María Daniela; et al.; In Silico and in vitro approach for the understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols; Scientific Research Publishing; Journal of Biophysical Chemistry; 10; 01; 2-2019; 1-14
2153-0378
2153-036X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.scirp.org/journal/paperinformation.aspx?paperid=91551
info:eu-repo/semantics/altIdentifier/doi/10.4236/jbpc.2019.101001
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Scientific Research Publishing
publisher.none.fl_str_mv Scientific Research Publishing
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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