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Prediction of the Health Effects of Food Peptides and Elucidation of the Mode‐of‐action Using Multi‐task Graph Convolutional Neural Network
Author(s) -
Fukunaga Itsuki,
Sawada Ryusuke,
Shibata Tomokazu,
Kaitoh Kazuma,
Sakai Yukie,
Yamanishi Yoshihiro
Publication year - 2020
Publication title -
molecular informatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.201900134
Subject(s) - convolutional neural network , peptide , computational biology , graph , in silico , biochemistry , chemistry , computer science , artificial intelligence , biology , gene , theoretical computer science
Food proteins work not only as nutrients but also modulators for the physiological functions of the human body. The physiological functions of food proteins are basically regulated by peptides encrypted in food protein sequences (food peptides). In this study, we propose a novel deep learning‐based method to predict the health effects of food peptides and elucidate the mode‐of‐action. In the algorithm, we estimate potential target proteins of food peptides using a multi‐task graph convolutional neural network, and predict its health effects using information about therapeutic targets for diseases. We constructed predictive models based on 21,103 peptide‐protein interactions involving 10,950 peptides and 2,533 proteins, and applied the models to food peptides (e. g., lactotripeptide, isoleucyltyrosine and sardine peptide) defined in food for specified health use. The models suggested potential effects such as blood‐pressure lowering effects, blood glucose level lowering effects, and anti‐cancer effects for several food peptides. The interactions of food peptides with target proteins were confirmed by docking simulations.