In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize
In this study, we characterized three novel peptides derived from the 19 kDa α-zein, and determined their bioactive profile in vitro and developed a structural model in silico. The peptides, 19ZP1, 19ZP2 and 19ZP3, formed α-helical structures and had positive and negative electrostatic potential sur...
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| Format: | Article |
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MDPI AG
2020-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/22/5405 |
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| author | Jorge L. Díaz-Gómez Ines Neundorf Laura-Margarita López-Castillo Fabiola Castorena-Torres Sergio O. Serna-Saldívar Silverio García-Lara |
| author_facet | Jorge L. Díaz-Gómez Ines Neundorf Laura-Margarita López-Castillo Fabiola Castorena-Torres Sergio O. Serna-Saldívar Silverio García-Lara |
| author_sort | Jorge L. Díaz-Gómez |
| collection | DOAJ |
| description | In this study, we characterized three novel peptides derived from the 19 kDa α-zein, and determined their bioactive profile in vitro and developed a structural model in silico. The peptides, 19ZP1, 19ZP2 and 19ZP3, formed α-helical structures and had positive and negative electrostatic potential surfaces (range of −1 to +1). According to the in silico algorithms, the peptides displayed low probabilities for cytotoxicity (≤0.05%), cell penetration (10–33%) and antioxidant activities (9–12.5%). Instead, they displayed a 40% probability for angiotensin-converting enzyme (ACE) inhibitory activity. For in vitro characterization, peptides were synthesized by solid phase synthesis and tested accordingly. We assumed α-helical structures for 19ZP1 and 19ZP2 under hydrophobic conditions. The peptides displayed antioxidant activity and ACE-inhibitory activity, with 19ZP1 being the most active. Our results highlight that the 19 kDa α-zein sequences could be explored as a source of bioactive peptides, and indicate that in silico approaches are useful to predict peptide bioactivities, but more structural analysis is necessary to obtain more accurate data. |
| first_indexed | 2024-03-10T14:44:45Z |
| format | Article |
| id | doaj.art-5985e085ce274e0291d68ff6d8beebd0 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T14:44:45Z |
| publishDate | 2020-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-5985e085ce274e0291d68ff6d8beebd02023-11-20T21:28:05ZengMDPI AGMolecules1420-30492020-11-012522540510.3390/molecules25225405In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of MaizeJorge L. Díaz-Gómez0Ines Neundorf1Laura-Margarita López-Castillo2Fabiola Castorena-Torres3Sergio O. Serna-Saldívar4Silverio García-Lara5Escuela de Ingeniería y Ciencias, Tecnologico de Monterrey, 64849 Nuevo León, MexicoDepartment für Chemie, Institut für Biochemie, Universität zu Köln, D-50674 Köln, GermanyEscuela de Ingeniería y Ciencias, Tecnologico de Monterrey, 64849 Nuevo León, MexicoEscuela de Medicina, Tecnologico de Monterrey, 64710 Nuevo León, MexicoEscuela de Ingeniería y Ciencias, Tecnologico de Monterrey, 64849 Nuevo León, MexicoEscuela de Ingeniería y Ciencias, Tecnologico de Monterrey, 64849 Nuevo León, MexicoIn this study, we characterized three novel peptides derived from the 19 kDa α-zein, and determined their bioactive profile in vitro and developed a structural model in silico. The peptides, 19ZP1, 19ZP2 and 19ZP3, formed α-helical structures and had positive and negative electrostatic potential surfaces (range of −1 to +1). According to the in silico algorithms, the peptides displayed low probabilities for cytotoxicity (≤0.05%), cell penetration (10–33%) and antioxidant activities (9–12.5%). Instead, they displayed a 40% probability for angiotensin-converting enzyme (ACE) inhibitory activity. For in vitro characterization, peptides were synthesized by solid phase synthesis and tested accordingly. We assumed α-helical structures for 19ZP1 and 19ZP2 under hydrophobic conditions. The peptides displayed antioxidant activity and ACE-inhibitory activity, with 19ZP1 being the most active. Our results highlight that the 19 kDa α-zein sequences could be explored as a source of bioactive peptides, and indicate that in silico approaches are useful to predict peptide bioactivities, but more structural analysis is necessary to obtain more accurate data.https://www.mdpi.com/1420-3049/25/22/5405anti-cancerpeptidecell-penetratingα-zeinantioxidantACE inhibitor |
| spellingShingle | Jorge L. Díaz-Gómez Ines Neundorf Laura-Margarita López-Castillo Fabiola Castorena-Torres Sergio O. Serna-Saldívar Silverio García-Lara In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize Molecules anti-cancer peptide cell-penetrating α-zein antioxidant ACE inhibitor |
| title | In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize |
| title_full | In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize |
| title_fullStr | In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize |
| title_full_unstemmed | In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize |
| title_short | In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize |
| title_sort | in silico analysis and in vitro characterization of the bioactive profile of three novel peptides identified from 19 kda α zein sequences of maize |
| topic | anti-cancer peptide cell-penetrating α-zein antioxidant ACE inhibitor |
| url | https://www.mdpi.com/1420-3049/25/22/5405 |
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