Application of in silico approaches for the generation of milk protein-derived bioactive peptides
Milk protein derived peptides have numerous well-documented bioactive properties. The conventional approach for the generation, identification and validation of bioactive peptides (BAPs) has involved (i) protein hydrolysis, (ii) bioactivity screening and (iii) validation in vivo. The low potency (in...
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doaj-6a1ff1174ae34a0880202cf960b01c7a2021-04-30T07:17:40ZengElsevierJournal of Functional Foods1756-46462020-01-0164103636Application of in silico approaches for the generation of milk protein-derived bioactive peptidesRichard J. FitzGerald0Maria Cermeño1Mohammadreza Khalesi2Thanyaporn Kleekayai3Miryam Amigo-Benavent4Corresponding author.; Department of Biological Sciences, University of Limerick, Limerick, IrelandDepartment of Biological Sciences, University of Limerick, Limerick, IrelandDepartment of Biological Sciences, University of Limerick, Limerick, IrelandDepartment of Biological Sciences, University of Limerick, Limerick, IrelandDepartment of Biological Sciences, University of Limerick, Limerick, IrelandMilk protein derived peptides have numerous well-documented bioactive properties. The conventional approach for the generation, identification and validation of bioactive peptides (BAPs) has involved (i) protein hydrolysis, (ii) bioactivity screening and (iii) validation in vivo. The low potency (in comparison to conventional drugs), susceptibility to breakdown during gastrointestinal transit and low intestinal permeability are key challenges in the development of highly bioactive food protein hydrolysates/peptides. However, the generation of potent and effective health enhancing hydrolysates/peptides can benefit from a range of in silico techniques including the application of structure bioactivity relationship modelling (e.g., quantitative structure activity relationship (QSAR) modelling), molecular docking and design of experiments (DOE) approaches to optimise BAP production and identification. Some examples of how these approaches have been employed in BAP discovery and generation will be outlined.http://www.sciencedirect.com/science/article/pii/S1756464619305602Bioactive peptidesDockingDOEIn silicoMilk proteinQSAR |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Richard J. FitzGerald Maria Cermeño Mohammadreza Khalesi Thanyaporn Kleekayai Miryam Amigo-Benavent |
spellingShingle |
Richard J. FitzGerald Maria Cermeño Mohammadreza Khalesi Thanyaporn Kleekayai Miryam Amigo-Benavent Application of in silico approaches for the generation of milk protein-derived bioactive peptides Journal of Functional Foods Bioactive peptides Docking DOE In silico Milk protein QSAR |
author_facet |
Richard J. FitzGerald Maria Cermeño Mohammadreza Khalesi Thanyaporn Kleekayai Miryam Amigo-Benavent |
author_sort |
Richard J. FitzGerald |
title |
Application of in silico approaches for the generation of milk protein-derived bioactive peptides |
title_short |
Application of in silico approaches for the generation of milk protein-derived bioactive peptides |
title_full |
Application of in silico approaches for the generation of milk protein-derived bioactive peptides |
title_fullStr |
Application of in silico approaches for the generation of milk protein-derived bioactive peptides |
title_full_unstemmed |
Application of in silico approaches for the generation of milk protein-derived bioactive peptides |
title_sort |
application of in silico approaches for the generation of milk protein-derived bioactive peptides |
publisher |
Elsevier |
series |
Journal of Functional Foods |
issn |
1756-4646 |
publishDate |
2020-01-01 |
description |
Milk protein derived peptides have numerous well-documented bioactive properties. The conventional approach for the generation, identification and validation of bioactive peptides (BAPs) has involved (i) protein hydrolysis, (ii) bioactivity screening and (iii) validation in vivo. The low potency (in comparison to conventional drugs), susceptibility to breakdown during gastrointestinal transit and low intestinal permeability are key challenges in the development of highly bioactive food protein hydrolysates/peptides. However, the generation of potent and effective health enhancing hydrolysates/peptides can benefit from a range of in silico techniques including the application of structure bioactivity relationship modelling (e.g., quantitative structure activity relationship (QSAR) modelling), molecular docking and design of experiments (DOE) approaches to optimise BAP production and identification. Some examples of how these approaches have been employed in BAP discovery and generation will be outlined. |
topic |
Bioactive peptides Docking DOE In silico Milk protein QSAR |
url |
http://www.sciencedirect.com/science/article/pii/S1756464619305602 |
work_keys_str_mv |
AT richardjfitzgerald applicationofinsilicoapproachesforthegenerationofmilkproteinderivedbioactivepeptides AT mariacermeno applicationofinsilicoapproachesforthegenerationofmilkproteinderivedbioactivepeptides AT mohammadrezakhalesi applicationofinsilicoapproachesforthegenerationofmilkproteinderivedbioactivepeptides AT thanyapornkleekayai applicationofinsilicoapproachesforthegenerationofmilkproteinderivedbioactivepeptides AT miryamamigobenavent applicationofinsilicoapproachesforthegenerationofmilkproteinderivedbioactivepeptides |
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1721498940605464576 |