Identification and molecular docking study of novel angiotensin‐converting enzyme inhibitory peptides from Salmo salar using in silico methods

Zhipeng Yu; Yang Chen; Wenzhu Zhao; Jianrong Li; Jingbo Liu; Feng Chen

doi:10.1002/jsfa.8908

journal article Mar 12, 2018

Identification and molecular docking study of novel angiotensin‐converting enzyme inhibitory peptides from Salmo salar using in silico methods

Zhipeng Yu

Yang Chen

Wenzhu Zhao Jianrong Li

Jingbo Liu

Feng Chen

Journal of the Science of Food and Agriculture Vol. 98 No. 10 pp. 3907-3914 · Wiley

View at Publisher Save 10.1002/jsfa.8908

Abstract

AbstractBACKGROUNDIn order to circumvent some challenges of the classical approach, the in silico method has been applied to the discovery of angiotensin‐converting enzyme (ACE) inhibitory peptides from food proteins. In this study, some convenient and efficient in silico tools were utilized to identify novel ACE inhibitory peptides from Salmo salar.RESULTSCollagen from Salmo salar was digested in silico into hundreds of peptides. Results revealed that tetrapeptides PGAR and IGPR showed potent ACE inhibitory activity, with IC50 values of 0.598 ± 0.12 and 0.43 ± 0.09 mmol L−1, respectively. The molecular docking result showed that PGAR and IGPR interact with ACE mostly via hydrogen bonds and attractive charge. Peptide IGPR interacts with Zn+ at the ACE active site, showing high inhibitory activity.CONCLUSIONInteraction with Zn+ in ACE may lead to higher inhibitory activity of peptides, and Pi interactions may promote the effect of peptides on ACE. The in silico method can be an effective method to predict potent ACE inhibitory peptides from food proteins. © 2018 Society of Chemical Industry

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Details

Published: Mar 12, 2018
Vol/Issue: 98(10)
Pages: 3907-3914
License: View

Authors

Z

Zhipeng Yu

College of Food Science and Engineering Bohai University Jinzhou PR China; Beijing Advanced Innovation Center for Food Nutrition and Human Health Beijing Technology and Business University (BTBU) Beijing PR China

Y

Yang Chen

College of Food Science and Engineering Bohai University Jinzhou PR China

W

Wenzhu Zhao

College of Food Science and Engineering Bohai University Jinzhou PR China

J

Jianrong Li

College of Food Science and Engineering Bohai University Jinzhou PR China

J

Jingbo Liu

Laboratory of Nutrition and Functional Food Jilin University Changchun PR China

F

Feng Chen

Beijing Advanced Innovation Center for Food Nutrition and Human Health Beijing Technology and Business University (BTBU) Beijing PR China; Department of Food Science and Human Nutrition Clemson University Clemson SC USA

Funding

Beijing Advanced Innovation Center for Food Nutrition and Human Health Award: 20181036

Cite This Article

Zhipeng Yu, Yang Chen, Wenzhu Zhao, et al. (2018). Identification and molecular docking study of novel angiotensin‐converting enzyme inhibitory peptides from Salmo salar using in silico methods. Journal of the Science of Food and Agriculture, 98(10), 3907-3914. https://doi.org/10.1002/jsfa.8908

Identification and molecular docking study of novel angiotensin‐converting enzyme inhibitory peptides from Salmo salar using in silico methods

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