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Open AccessArticle

Novel ACE Inhibitory Peptides Derived from Simulated Gastrointestinal Digestion in Vitro of Sesame (Sesamum indicum L.) Protein and Molecular Docking Study

Research Center for Agricultural and Sideline Products Processing, Henan Academy of Agricultural Sciences, Zhengzhou 450002, China
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Int. J. Mol. Sci. 2020, 21(3), 1059; https://doi.org/10.3390/ijms21031059
Received: 28 December 2019 / Revised: 2 February 2020 / Accepted: 3 February 2020 / Published: 5 February 2020
(This article belongs to the Special Issue Membrane–Peptide Interactions: From Basics to Current Applications)
The aim of this study was to isolate and identify angiotensin I-converting enzyme (ACE) inhibitory peptides from sesame protein through simulated gastrointestinal digestion in vitro, and to explore the underlying mechanisms by molecular docking. The sesame protein was enzymatically hydrolyzed by pepsin, trypsin, and α-chymotrypsin. The degree of hydrolysis (DH) and peptide yield increased with the increase of digest time. Moreover, ACE inhibitory activity was enhanced after digestion. The sesame protein digestive solution (SPDS) was purified by ultrafiltration through different molecular weight cut-off (MWCO) membranes and SPDS-VII (< 3 kDa) had the strongest ACE inhibition. SPDS-VII was further purified by NGC Quest™ 10 Plus Chromatography System and finally 11 peptides were identified by Nano UHPLC-ESI-MS/MS (nano ultra-high performance liquid chromatography-electrospray ionization mass spectrometry/mass spectrometry) from peak 4. The peptide GHIITVAR from 11S globulin displayed the strongest ACE inhibitory activity (IC50 = 3.60 ± 0.10 μM). Furthermore, the docking analysis revealed that the ACE inhibition of GHIITVAR was mainly attributed to forming very strong hydrogen bonds with the active sites of ACE. These results identify sesame protein as a rich source of ACE inhibitory peptides and further indicate that GHIITVAR has the potential for development of new functional foods. View Full-Text
Keywords: sesame protein; ACE inhibitory peptides; simulated gastrointestinal digestion; amino acid sequence; molecular docking sesame protein; ACE inhibitory peptides; simulated gastrointestinal digestion; amino acid sequence; molecular docking
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Wang, R.; Lu, X.; Sun, Q.; Gao, J.; Ma, L.; Huang, J. Novel ACE Inhibitory Peptides Derived from Simulated Gastrointestinal Digestion in Vitro of Sesame (Sesamum indicum L.) Protein and Molecular Docking Study. Int. J. Mol. Sci. 2020, 21, 1059.

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