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      Properties of peptides released from salmon and carp via simulated human-like gastrointestinal digestion described applying quantitative parameters

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          Abstract

          Apart from the classical (experimental) methods, biologically active peptides can be studied via bioinformatics approach, also known as in silico analysis. This study aimed to verify the following research hypothesis: ACE inhibitors and antioxidant peptides can be released from salmon and carp proteins during simulated in silico human-like gastrointestinal digestion. The potential to release biopeptides was evaluated using the BIOPEP-UWM quantitative criteria including the profile of biological activity, frequency of the occurrence (A)/release (A E) of fragments with an ACE inhibitory or antioxidant activity by selected enzymes, and relative frequency of release of bioactive fragments with a given activity by selected enzymes (W). Salmon collagen and myofibrillar proteins of carp turned out to be the best potential source of the searched peptides–ACE inhibitors and antioxidant peptides. Nonetheless, after digestion, the highest numbers of ACE inhibitors and antioxidant peptides were potentially released from the myofibrillar proteins of salmon and carp. Peptide Ranker Score, Pepsite2, and ADMETlab platform were applied to evaluate peptides’ bioactivity potential, their safety and drug-like properties. Among the 63 sequences obtained after the simulated digestion of salmon and carp proteins, 30 were considered potential biopeptides. The amino acid sequences of ACE-inhibiting and antioxidant peptides were predominated by P, G, F, W, R, and L. The predicted high probability of absorption of most analyzed peptides and their low toxicity should be considered as their advantage.

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          Most cited references81

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          The EMBL-EBI search and sequence analysis tools APIs in 2019

          Abstract The EMBL-EBI provides free access to popular bioinformatics sequence analysis applications as well as to a full-featured text search engine with powerful cross-referencing and data retrieval capabilities. Access to these services is provided via user-friendly web interfaces and via established RESTful and SOAP Web Services APIs (https://www.ebi.ac.uk/seqdb/confluence/display/JDSAT/EMBL-EBI+Web+Services+APIs+-+Data+Retrieval). Both systems have been developed with the same core principles that allow them to integrate an ever-increasing volume of biological data, making them an integral part of many popular data resources provided at the EMBL-EBI. Here, we describe the latest improvements made to the frameworks which enhance the interconnectivity between public EMBL-EBI resources and ultimately enhance biological data discoverability, accessibility, interoperability and reusability.
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            UniProt: the universal protein knowledgebase

            (2016)
            The UniProt knowledgebase is a large resource of protein sequences and associated detailed annotation. The database contains over 60 million sequences, of which over half a million sequences have been curated by experts who critically review experimental and predicted data for each protein. The remainder are automatically annotated based on rule systems that rely on the expert curated knowledge. Since our last update in 2014, we have more than doubled the number of reference proteomes to 5631, giving a greater coverage of taxonomic diversity. We implemented a pipeline to remove redundant highly similar proteomes that were causing excessive redundancy in UniProt. The initial run of this pipeline reduced the number of sequences in UniProt by 47 million. For our users interested in the accessory proteomes, we have made available sets of pan proteome sequences that cover the diversity of sequences for each species that is found in its strains and sub-strains. To help interpretation of genomic variants, we provide tracks of detailed protein information for the major genome browsers. We provide a SPARQL endpoint that allows complex queries of the more than 22 billion triples of data in UniProt (http://sparql.uniprot.org/). UniProt resources can be accessed via the website at http://www.uniprot.org/.
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              SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

              Abstract SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most probable protein targets of small molecules. Predictions are based on the similarity principle, through reverse screening. Here, we describe the 2019 version, which represents a major update in terms of underlying data, backend and web interface. The bioactivity data were updated, the model retrained and similarity thresholds redefined. In the new version, the predictions are performed by searching for similar molecules, in 2D and 3D, within a larger collection of 376 342 compounds known to be experimentally active on an extended set of 3068 macromolecular targets. An efficient backend implementation allows to speed up the process that returns results for a druglike molecule on human proteins in 15–20 s. The refreshed web interface enhances user experience with new features for easy input and improved analysis. Interoperability capacity enables straightforward submission of any input or output molecule to other on-line computer-aided drug design tools, developed by the SIB Swiss Institute of Bioinformatics. High levels of predictive performance were maintained despite more extended biological and chemical spaces to be explored, e.g. achieving at least one correct human target in the top 15 predictions for >70% of external compounds. The new SwissTargetPrediction is available free of charge (www.swisstargetprediction.ch).
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                Author and article information

                Contributors
                Role: ConceptualizationRole: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole: VisualizationRole: Writing – original draftRole: Writing – review & editing
                Role: ConceptualizationRole: Funding acquisitionRole: InvestigationRole: MethodologyRole: Project administrationRole: SupervisionRole: Writing – original draftRole: Writing – review & editing
                Role: Formal analysisRole: InvestigationRole: Writing – original draft
                Role: Editor
                Journal
                PLoS One
                PLoS One
                plos
                PLoS ONE
                Public Library of Science (San Francisco, CA USA )
                1932-6203
                10 August 2021
                2021
                : 16
                : 8
                : e0255969
                Affiliations
                [1 ] Faculty of Food Science, Department of Food Biochemistry, University of Warmia and Mazury in Olsztyn, Olsztyn, Poland
                [2 ] Faculty of Food Science, Department of Dairy Science and Quality Management, University of Warmia and Mazury in Olsztyn, Olsztyn, Poland
                Escola Paulista de Medicina, BRAZIL
                Author notes

                Competing Interests: The authors have declared that no competing interests exist.

                Author information
                https://orcid.org/0000-0003-4322-9211
                https://orcid.org/0000-0001-6084-1985
                Article
                PONE-D-21-05341
                10.1371/journal.pone.0255969
                8354434
                34375367
                89fdbc99-ee3f-4f12-baba-c23abb89911f
                © 2021 Borawska-Dziadkiewicz et al

                This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

                History
                : 11 March 2021
                : 27 July 2021
                Page count
                Figures: 1, Tables: 3, Pages: 23
                Funding
                Funded by: Minister Nauki i Szkolnictwa Wyższego (PL)
                Award ID: 010/RID/2018/19
                Award Recipient :
                Funded by: Minister Nauki i Szkolnictwa Wyższego (PL)
                Award ID: 010/RID/2018/19
                Award Recipient :
                Project financially supported by Minister of Science and Higher Education in the range of the program entitled "Regional Initiative of Excellence" for the years 2019-2022, Project No. 010/RID/2018/19, amount of funding 12.000.000 PLN.
                Categories
                Research Article
                Medicine and health sciences
                Pharmacology
                Drugs
                ACE inhibitors
                Biology and life sciences
                Biochemistry
                Enzymology
                Enzyme inhibitors
                ACE inhibitors
                Biology and Life Sciences
                Organisms
                Eukaryota
                Animals
                Vertebrates
                Fish
                Osteichthyes
                Carps
                Biology and Life Sciences
                Zoology
                Animals
                Vertebrates
                Fish
                Osteichthyes
                Carps
                Biology and Life Sciences
                Cell Biology
                Molecular Motors
                Motor Proteins
                Biology and Life Sciences
                Biochemistry
                Proteins
                Motor Proteins
                Biology and Life Sciences
                Biochemistry
                Antioxidants
                Biology and Life Sciences
                Cell Biology
                Molecular Motors
                Motor Proteins
                Actin Motors
                Myosins
                Biology and Life Sciences
                Biochemistry
                Proteins
                Motor Proteins
                Actin Motors
                Myosins
                Biology and Life Sciences
                Biochemistry
                Proteins
                Contractile Proteins
                Myosins
                Biology and Life Sciences
                Biochemistry
                Proteins
                Cytoskeletal Proteins
                Myosins
                Biology and Life Sciences
                Biochemistry
                Proteins
                Collagens
                Research and Analysis Methods
                Database and Informatics Methods
                Bioinformatics
                Sequence Analysis
                Amino Acid Sequence Analysis
                Biology and Life Sciences
                Organisms
                Eukaryota
                Animals
                Vertebrates
                Fish
                Osteichthyes
                Salmon
                Biology and Life Sciences
                Zoology
                Animals
                Vertebrates
                Fish
                Osteichthyes
                Salmon
                Custom metadata
                All relevant data are within the manuscript and its Supporting Information files.

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                Uncategorized

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