In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation
Fish skin collagen hydrolyzate has demonstrated the potent inhibition of dipeptidyl peptidase-IV (DPP-IV), one of the treatments for type-2 diabetes mellitus (type-2 DM), but the precise mechanism is still unclear. This study used in silico method to evaluate the potential of the active peptides fr...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022
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| Subjects: | |
| Online Access: | https://repository.ugm.ac.id/278801/1/Ningrum-2_TP.pdf |
| _version_ | 1797037361944592384 |
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| author | Munawaroh, Heli Siti Halimatul Gumilar, Gun Gun Berliana, Jerlita Dea Aisyah, Siti Nuraini, Vidia Afina Ningrum, Andriati Susanto, Eko Martha, Larasati Kurniawan, Isman Hidayati, Nur Akmalia Koyande, Apurav Krishna Show, Pau-Loke |
| author_facet | Munawaroh, Heli Siti Halimatul Gumilar, Gun Gun Berliana, Jerlita Dea Aisyah, Siti Nuraini, Vidia Afina Ningrum, Andriati Susanto, Eko Martha, Larasati Kurniawan, Isman Hidayati, Nur Akmalia Koyande, Apurav Krishna Show, Pau-Loke |
| author_sort | Munawaroh, Heli Siti Halimatul |
| collection | UGM |
| description | Fish skin collagen hydrolyzate has demonstrated the potent inhibition of dipeptidyl peptidase-IV (DPP-IV), one of
the treatments for type-2 diabetes mellitus (type-2 DM), but the precise mechanism is still unclear. This study used in silico method to evaluate the potential of the active peptides from tilapia skin collagen (Oreochromis niloticus) for DPP-IV inhibitor. The methodology includes collagen hydrolysis using BIOPEP, which is the data-base of bioactive peptides; active peptide selection; toxicity, allergenicity, sensory analysis of active peptides; and binding of active peptides to DPP-IV compared with linagliptin. The result indicated that in silico enzymatic hydrolysis of collagen produced active peptides with better prediction of biological activity than intact collagen. There are 13 active peptides were predicted as non-toxic and non-allergenic, some of which have a bitter, salty, and undetectable taste. Docking simulations showed all active peptides interacted with DPP-IV through hydrogen bonds, van der Waals force, hydrophobic interaction, electrostatic force, π-sulfur, and unfavorable interaction, where WF (Trp-Phe), VW (Val-Trp), WY (Trp-Tyr), and WG (Trp-Gly) displayed higher binding affinities of 0.8; 0.5; 0.4; and 0.3 kcal/mol compared with linagliptin. In this study, we successfully demonstrated antidiabetic type-2 DM potential of the active peptides from tilapia skin collagen. The obtained data provided preliminary data for further research in the utilization of fish skin waste as a functional compound to treat the type-2 DM patients. Alternatively, this treatment can be synergistically combined with the available antidiabetic drugs to improve the insulin secretion of the type-2 DM patients. |
| first_indexed | 2024-03-14T00:02:10Z |
| format | Article |
| id | oai:generic.eprints.org:278801 |
| institution | Universiti Gadjah Mada |
| language | English |
| last_indexed | 2024-03-14T00:02:10Z |
| publishDate | 2022 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | oai:generic.eprints.org:2788012023-11-02T00:25:39Z https://repository.ugm.ac.id/278801/ In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation Munawaroh, Heli Siti Halimatul Gumilar, Gun Gun Berliana, Jerlita Dea Aisyah, Siti Nuraini, Vidia Afina Ningrum, Andriati Susanto, Eko Martha, Larasati Kurniawan, Isman Hidayati, Nur Akmalia Koyande, Apurav Krishna Show, Pau-Loke Food Sciences Food Engineering Fish skin collagen hydrolyzate has demonstrated the potent inhibition of dipeptidyl peptidase-IV (DPP-IV), one of the treatments for type-2 diabetes mellitus (type-2 DM), but the precise mechanism is still unclear. This study used in silico method to evaluate the potential of the active peptides from tilapia skin collagen (Oreochromis niloticus) for DPP-IV inhibitor. The methodology includes collagen hydrolysis using BIOPEP, which is the data-base of bioactive peptides; active peptide selection; toxicity, allergenicity, sensory analysis of active peptides; and binding of active peptides to DPP-IV compared with linagliptin. The result indicated that in silico enzymatic hydrolysis of collagen produced active peptides with better prediction of biological activity than intact collagen. There are 13 active peptides were predicted as non-toxic and non-allergenic, some of which have a bitter, salty, and undetectable taste. Docking simulations showed all active peptides interacted with DPP-IV through hydrogen bonds, van der Waals force, hydrophobic interaction, electrostatic force, π-sulfur, and unfavorable interaction, where WF (Trp-Phe), VW (Val-Trp), WY (Trp-Tyr), and WG (Trp-Gly) displayed higher binding affinities of 0.8; 0.5; 0.4; and 0.3 kcal/mol compared with linagliptin. In this study, we successfully demonstrated antidiabetic type-2 DM potential of the active peptides from tilapia skin collagen. The obtained data provided preliminary data for further research in the utilization of fish skin waste as a functional compound to treat the type-2 DM patients. Alternatively, this treatment can be synergistically combined with the available antidiabetic drugs to improve the insulin secretion of the type-2 DM patients. Elsevier 2022-03-16 Article PeerReviewed application/pdf en https://repository.ugm.ac.id/278801/1/Ningrum-2_TP.pdf Munawaroh, Heli Siti Halimatul and Gumilar, Gun Gun and Berliana, Jerlita Dea and Aisyah, Siti and Nuraini, Vidia Afina and Ningrum, Andriati and Susanto, Eko and Martha, Larasati and Kurniawan, Isman and Hidayati, Nur Akmalia and Koyande, Apurav Krishna and Show, Pau-Loke (2022) In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation. Environmental Research, 12 (2022). pp. 1-10. ISSN 0013-9351 https://www.elsevier.com/locate/envres https://doi.org/10.1016/j.envres.2022.113002 |
| spellingShingle | Food Sciences Food Engineering Munawaroh, Heli Siti Halimatul Gumilar, Gun Gun Berliana, Jerlita Dea Aisyah, Siti Nuraini, Vidia Afina Ningrum, Andriati Susanto, Eko Martha, Larasati Kurniawan, Isman Hidayati, Nur Akmalia Koyande, Apurav Krishna Show, Pau-Loke In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation |
| title | In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation |
| title_full | In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation |
| title_fullStr | In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation |
| title_full_unstemmed | In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation |
| title_short | In silico proteolysis and molecular interaction of tilapia (Oreochromis niloticus) skin collagen-derived peptides for environmental remediation |
| title_sort | in silico proteolysis and molecular interaction of tilapia oreochromis niloticus skin collagen derived peptides for environmental remediation |
| topic | Food Sciences Food Engineering |
| url | https://repository.ugm.ac.id/278801/1/Ningrum-2_TP.pdf |
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