New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation

The colour of red wine is due to the presence of anthocyanins and their derived pigments, with malvidin-3-O-glucoside being the most predominant. Due to their chemical conformation, anthocyanins are susceptible to several conditions and have limited stability. Through copigmentation processes, antho...

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Autores: López Molina, María Fernanda, Rodríguez Pulido, Francisco José, Mora Garrido, Ana Belén, González-Miret Martín, María Lourdes, Heredia Mira, Francisco José
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2025
País:España
Institución:Universidad de Sevilla (US)
Repositorio:idUS. Depósito de Investigación de la Universidad de Sevilla
OAI Identifier:oai:idus.us.es:11441/179606
Acceso en línea:https://hdl.handle.net/11441/179606
https://doi.org/10.1016/j.foodchem.2024.141708
Access Level:acceso abierto
Palabra clave:Malvidin-3-O-glucoside
Peptides
Copigmentation
Molecular docking
Molecular dynamics
47 tristimulus colorimetry
TD-DFT
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spelling New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisationLópez Molina, María FernandaRodríguez Pulido, Francisco JoséMora Garrido, Ana BelénGonzález-Miret Martín, María LourdesHeredia Mira, Francisco JoséMalvidin-3-O-glucosidePeptidesCopigmentationMolecular dockingMolecular dynamics47 tristimulus colorimetryTD-DFTThe colour of red wine is due to the presence of anthocyanins and their derived pigments, with malvidin-3-O-glucoside being the most predominant. Due to their chemical conformation, anthocyanins are susceptible to several conditions and have limited stability. Through copigmentation processes, anthocyanins can interact non-covalently with other molecules to enhance their stability. As a natural source of proteins and peptides, grape seeds are of particular interest because they may be of significant techno-functional value in the modulation of wine quality characteristics, such as acting as copigments to enhance colour stability. The proposed methodology allowed predicting in-depth insights into the molecular-level nature of interaction between the identified peptides when complexed with malvidin 3-O-glucoside and their colour stabilising properties. Thereby, allowing a prior screening in silico to facilitate their future application in experimental assays, such as obtaining the tested peptides with the characteristics already studied by means of grape seed meal directed hydrolysis.ElsevierNutrición y Bromatología, Toxicología y Medicina LegalMinisterio de Ciencia, Innovación y Universidades (MICIU). España2025info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfapplication/pdfhttps://hdl.handle.net/11441/179606https://doi.org/10.1016/j.foodchem.2024.141708reponame:idUS. Depósito de Investigación de la Universidad de Sevillainstname:Universidad de Sevilla (US)InglésFood Chemistry, 464, 141708.PID2021-127126OB-C22PRE2022-104543https://doi.org/10.1016/j.foodchem.2024.141708info:eu-repo/semantics/openAccessoai:idus.us.es:11441/1796062026-06-17T12:51:07Z
dc.title.none.fl_str_mv New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
title New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
spellingShingle New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
López Molina, María Fernanda
Malvidin-3-O-glucoside
Peptides
Copigmentation
Molecular docking
Molecular dynamics
47 tristimulus colorimetry
TD-DFT
title_short New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
title_full New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
title_fullStr New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
title_full_unstemmed New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
title_sort New approaches for screening grape seed peptides as colourimetric modulators by malvidin-3-O-glucoside stabilisation
dc.creator.none.fl_str_mv López Molina, María Fernanda
Rodríguez Pulido, Francisco José
Mora Garrido, Ana Belén
González-Miret Martín, María Lourdes
Heredia Mira, Francisco José
author López Molina, María Fernanda
author_facet López Molina, María Fernanda
Rodríguez Pulido, Francisco José
Mora Garrido, Ana Belén
González-Miret Martín, María Lourdes
Heredia Mira, Francisco José
author_role author
author2 Rodríguez Pulido, Francisco José
Mora Garrido, Ana Belén
González-Miret Martín, María Lourdes
Heredia Mira, Francisco José
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Nutrición y Bromatología, Toxicología y Medicina Legal
Ministerio de Ciencia, Innovación y Universidades (MICIU). España
dc.subject.none.fl_str_mv Malvidin-3-O-glucoside
Peptides
Copigmentation
Molecular docking
Molecular dynamics
47 tristimulus colorimetry
TD-DFT
topic Malvidin-3-O-glucoside
Peptides
Copigmentation
Molecular docking
Molecular dynamics
47 tristimulus colorimetry
TD-DFT
description The colour of red wine is due to the presence of anthocyanins and their derived pigments, with malvidin-3-O-glucoside being the most predominant. Due to their chemical conformation, anthocyanins are susceptible to several conditions and have limited stability. Through copigmentation processes, anthocyanins can interact non-covalently with other molecules to enhance their stability. As a natural source of proteins and peptides, grape seeds are of particular interest because they may be of significant techno-functional value in the modulation of wine quality characteristics, such as acting as copigments to enhance colour stability. The proposed methodology allowed predicting in-depth insights into the molecular-level nature of interaction between the identified peptides when complexed with malvidin 3-O-glucoside and their colour stabilising properties. Thereby, allowing a prior screening in silico to facilitate their future application in experimental assays, such as obtaining the tested peptides with the characteristics already studied by means of grape seed meal directed hydrolysis.
publishDate 2025
dc.date.none.fl_str_mv 2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/11441/179606
https://doi.org/10.1016/j.foodchem.2024.141708
url https://hdl.handle.net/11441/179606
https://doi.org/10.1016/j.foodchem.2024.141708
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Food Chemistry, 464, 141708.
PID2021-127126OB-C22
PRE2022-104543
https://doi.org/10.1016/j.foodchem.2024.141708
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:idUS. Depósito de Investigación de la Universidad de Sevilla
instname:Universidad de Sevilla (US)
instname_str Universidad de Sevilla (US)
reponame_str idUS. Depósito de Investigación de la Universidad de Sevilla
collection idUS. Depósito de Investigación de la Universidad de Sevilla
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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