| Title: | Rational Design of Peptides Derived from Odorant-Binding Proteins for SARS-CoV-2-Related Volatile Organic Compounds Recognition |
| Address: | "Faculty of Interdisciplinary Science and Engineering in Health Systems, Okayama University, 3-1-1, Tsushima-Naka, Kitaku, Okayama 700-8530, Japan" |
| DOI: | 10.3390/molecules27123917 |
| ISSN/ISBN: | 1420-3049 (Electronic) 1420-3049 (Linking) |
| 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" |
| Keywords: | *covid-19 Humans Odorants Peptides SARS-CoV-2 *Volatile Organic Compounds/metabolism computational tools odorant-binding protein peptide rational design volatile organic compounds; |
| Notes: | "MedlineWang, Jin Sakai, Kenji Kiwa, Toshihiko eng 21K14169/Japan Society for the Promotion of Science/ Switzerland 2022/06/25 Molecules. 2022 Jun 18; 27(12):3917. doi: 10.3390/molecules27123917" |
