Identification, structure-activity relationship and in silico molecular docking analyses of five novel angiotensin I-converting enzyme

Stone fish is an under-utilized sea cucumber with many health benefits. Hydrolysates with strong ACE-inhibitory effects were generated from stone fish protein under the optimum conditions of hydrolysis using bromelain and fractionated based on hydrophobicity and isoelectric properties of the constit...

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Bibliographic Details
Published in:PloS one 2019-05, Vol.14 (5), p.e0197644
Main Authors: Saari, Nazamid, Zainal Abidin, Najib, Tan, Chin Ping, Auwal, Shehu Muhammad, Zarei, Mohammad
Format: Article
Language:English
Subjects:
Amino acids
Angiotensin converting enzyme
Angiotensins
Bonds (Securities)
Functional foods
Glutamine
Glycine
Health
Health aspects
Health foods
Hydrogen
Hydrolysis
Molecular modeling
Novels
Peptides
Physiological aspects
Raw materials
Reef stonefish
Retirement benefits
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Summary:Stone fish is an under-utilized sea cucumber with many health benefits. Hydrolysates with strong ACE-inhibitory effects were generated from stone fish protein under the optimum conditions of hydrolysis using bromelain and fractionated based on hydrophobicity and isoelectric properties of the constituent peptides. Five novel peptide sequences with molecular weight (mw) < 1000 daltons (Da) were identified using LC-MS/MS. The peptides including Ala-Leu-Gly-Pro-Gln-Phe-Tyr (794.44 Da), Lys-Val-Pro-Pro-Lys-Ala (638.88 Da), Leu-Ala-Pro-Pro-Thr-Met (628.85 Da), Glu-Val-Leu-Ile-Gln (600.77 Da) and Glu-His-Pro-Val-Leu (593.74 Da) were evaluated for ACE-inhibitory activity and showed IC.sub.50 values of 0.012 mM, 0.980 mM, 1.310 mM, 1.440 mM and 1.680 mM, respectively. The ACE-inhibitory effects of the peptides were further verified using molecular docking study. The docking results demonstrated that the peptides exhibit their effect mainly via hydrogen and electrostatic bond interactions with ACE. These findings provide evidence about stone fish as a valuable source of raw materials for the manufacture of antihypertensive peptides that can be incorporated to enhance therapeutic relevance and commercial significance of formulated functional foods.
ISSN:1932-6203
1932-6203