In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach
Bioinformatic tools are widely used in predicting potent bioactive peptides from food derived materials. This study was focused on utilizing sea cucumber processing by-products for generating antioxidant and ACE inhibitory peptides by application of a range of in silico techniques. Identified peptid...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-09-01
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| Series: | Marine Drugs |
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| Online Access: | https://www.mdpi.com/1660-3397/20/10/610 |
| _version_ | 1827617404987899904 |
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| author | Tharindu R. L. Senadheera Abul Hossain Deepika Dave Fereidoon Shahidi |
| author_facet | Tharindu R. L. Senadheera Abul Hossain Deepika Dave Fereidoon Shahidi |
| author_sort | Tharindu R. L. Senadheera |
| collection | DOAJ |
| description | Bioinformatic tools are widely used in predicting potent bioactive peptides from food derived materials. This study was focused on utilizing sea cucumber processing by-products for generating antioxidant and ACE inhibitory peptides by application of a range of in silico techniques. Identified peptides using LC−MS/MS were virtually screened by PepRank technique followed by in silico proteolysis simulation with representative digestive enzymes using BIOPEP-UWM<sup>TM</sup> data base tool. The resultant peptides after simulated digestion were evaluated for their toxicity using ToxinPred software. All digestive resistance peptides were found to be non-toxic and displayed favorable functional properties indicating their potential for use in a wide range of food applications, including hydrophobic and hydrophilic systems. Identified peptides were further assessed for their medicinal characteristics by employing SwissADME web-based application. Our findings provide an insight on potential use of undervalued sea cucumber processing discards for functional food product development and natural pharmaceutical ingredients attributed to the oral drug discovery process. |
| first_indexed | 2024-03-09T09:45:30Z |
| format | Article |
| id | doaj.art-209a1af145014c92a21b1f8f8429d374 |
| institution | Directory Open Access Journal |
| issn | 1660-3397 |
| language | English |
| last_indexed | 2024-03-09T09:45:30Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Marine Drugs |
| spelling | doaj.art-209a1af145014c92a21b1f8f8429d3742023-12-02T00:36:20ZengMDPI AGMarine Drugs1660-33972022-09-01201061010.3390/md20100610In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics ApproachTharindu R. L. Senadheera0Abul Hossain1Deepika Dave2Fereidoon Shahidi3Department of Biochemistry, Memorial University of Newfoundland, St. John’s, NL A1C 5S7, CanadaDepartment of Biochemistry, Memorial University of Newfoundland, St. John’s, NL A1C 5S7, CanadaDepartment of Biochemistry, Memorial University of Newfoundland, St. John’s, NL A1C 5S7, CanadaDepartment of Biochemistry, Memorial University of Newfoundland, St. John’s, NL A1C 5S7, CanadaBioinformatic tools are widely used in predicting potent bioactive peptides from food derived materials. This study was focused on utilizing sea cucumber processing by-products for generating antioxidant and ACE inhibitory peptides by application of a range of in silico techniques. Identified peptides using LC−MS/MS were virtually screened by PepRank technique followed by in silico proteolysis simulation with representative digestive enzymes using BIOPEP-UWM<sup>TM</sup> data base tool. The resultant peptides after simulated digestion were evaluated for their toxicity using ToxinPred software. All digestive resistance peptides were found to be non-toxic and displayed favorable functional properties indicating their potential for use in a wide range of food applications, including hydrophobic and hydrophilic systems. Identified peptides were further assessed for their medicinal characteristics by employing SwissADME web-based application. Our findings provide an insight on potential use of undervalued sea cucumber processing discards for functional food product development and natural pharmaceutical ingredients attributed to the oral drug discovery process.https://www.mdpi.com/1660-3397/20/10/610sea cucumber by-productsbioinformaticsbioactive peptidesvalue addition |
| spellingShingle | Tharindu R. L. Senadheera Abul Hossain Deepika Dave Fereidoon Shahidi In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach Marine Drugs sea cucumber by-products bioinformatics bioactive peptides value addition |
| title | In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach |
| title_full | In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach |
| title_fullStr | In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach |
| title_full_unstemmed | In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach |
| title_short | In Silico Analysis of Bioactive Peptides Produced from Underutilized Sea Cucumber By-Products—A Bioinformatics Approach |
| title_sort | in silico analysis of bioactive peptides produced from underutilized sea cucumber by products a bioinformatics approach |
| topic | sea cucumber by-products bioinformatics bioactive peptides value addition |
| url | https://www.mdpi.com/1660-3397/20/10/610 |
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