In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize |
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Authors: | Jorge L Díaz-Gmez Ines Neundorf Laura-Margarita Lpez-Castillo Fabiola Castorena-Torres Sergio O Serna-Saldívar Silverio García-Lara |
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Institution: | 1.Escuela de Ingeniería y Ciencias, Tecnologico de Monterrey, 64849 Nuevo León, Mexico; (J.L.D.-G.); (L.-M.L.-C.); (S.O.S.-S.);2.Department für Chemie, Institut für Biochemie, Universität zu Köln, D-50674 Köln, Germany; ;3.Escuela de Medicina, Tecnologico de Monterrey, 64710 Nuevo León, Mexico; |
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Abstract: | 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. |
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Keywords: | anti-cancer peptide cell-penetrating α -zein antioxidant ACE inhibitor in silico |
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