ID | 63756 |
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Author |
Wang, Jin
Faculty of Interdisciplinary Science and Engineering in Health Systems, Okayama University
Sakai, Kenji
Faculty of Interdisciplinary Science and Engineering in Health Systems, Okayama University
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Kiwa, Toshihiko
Faculty of Interdisciplinary Science and Engineering in Health Systems, Okayama University
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Abstract | Peptides are promising molecular-binding elements and have attracted great interest in novel biosensor development. In this study, a series of peptides derived from odorant-binding proteins (OBPs) were rationally designed for recognition of SARS-CoV-2-related volatile organic compounds (VOCs). Ethanol, nonanal, benzaldehyde, acetic acid, and acetone were selected as representative VOCs in the exhaled breath during the COVID-19 infection. Computational docking and prediction tools were utilized for OBPs peptide characterization and analysis. Multiple parameters, including the docking model, binding affinity, sequence specification, and structural folding, were investigated. The results demonstrated a rational, rapid, and efficient approach for designing breath-borne VOC-recognition peptides, which could further improve the biosensor performance for pioneering COVID-19 screening and many other applications.
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Keywords | rational design
odorant-binding protein
peptide
SARS-CoV-2
volatile organic compounds
computational tools
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Published Date | 2022-06-18
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Publication Title |
Molecules
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Volume | volume27
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Issue | issue12
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Publisher | MDPI
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Start Page | 3917
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ISSN | 1420-3049
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Content Type |
Journal Article
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language |
English
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OAI-PMH Set |
岡山大学
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Copyright Holders | © 2022 by the authors.
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File Version | publisher
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Related Url | isVersionOf https://doi.org/10.3390/molecules27123917
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License | https://creativecommons.org/licenses/by/4.0/
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Funder Name |
Japan Society for the Promotion of Science
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助成番号 | 21K14169
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