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

Abstract

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.

Antihypertensive effect of quinoa protein under simulated gastrointestinal digestion and peptide characterization

“…Similarly, Aluko and Monu 11 also found that the filtrate from a 5000 MWCO membrane of the quinoa protein concentrate digested by Alcalase showed higher ACE inhibitory activity than the retained fraction. Research on other food protein hydrolyzates, such as sesame, 20 Antarctic krill, 21 and Kluyveromyces marxianus , 22 also found that a fraction with lower MW peptides exhibited stronger activity on ACE inhibition than fractions with higher MW peptides. The ultrafiltration membrane provides a cost‐effective way to concentrate bioactive peptides based on molecular weight distribution.…”

SARS-CoV-2 spike protein-, main protease- and papain-like-protease-targeting peptides from seed proteins following gastrointestinal digestion: An in silico study

“…Seed storage proteins are the major proteins in the five seeds and are likely to be the main sources of bioactive peptides upon oral consumption and GI digestion. The nutritional values and the bioactivity of peptides derived from the five seeds have been reported ( Bao et al., 2020 ; Guo et al., 2020 ; Han et al., 2019 ; Innocent-Ukachi, 2019 ; Vilcacundo et al., 2018 ; Wang et al., 2020b ). Currently, there is still no effective approved treatment or vaccine that can be used to tackle or prevent COVID-19.…”

Dual‐enzyme hydrolysis for preparation of ACE‐inhibitory peptides from sesame seed protein: Optimization, separation, and identification

“…The bioactive peptide produced from sesame seed protein by enzymatic hydrolysis is an essential branch in sesame seed protein processing. Previous research has found that sesame seed protein is the precursor of ACEinhibitory peptides (Chatterjee et al, 2015;Nakano et al, 2006;Wang et al, 2020). So far, sesame seed protein hydrolyzed by thermolysin, papain, pepsin, alcalase showed ACE-inhibitory activity (Chatterjee et al, 2015;Nakano et al, 2006), but choosing the proper protease to hydrolyze sesame seed protein and establishing optimal hydrolysis conditions are overlooked.…”