Computational design of recognition peptide based plasmonic biosensor for small molecules detection

2023 Fiscal Year Final Research Report

• Project/Area Number: 21K14169
• Research Category: Grant-in-Aid for Early-Career Scientists
• Allocation Type: Multi-year Fund
• Review Section: Basic Section 21030:Measurement engineering-related
• Research Institution: Okayama University
• Principal Investigator: WANG JIN 岡山大学, ヘルスシステム統合科学学域, 准教授 (10870975)
• Project Period (FY): 2021-04-01 – 2024-03-31
• Keywords: peptide / computational design / plasmonic biosensor / small molecules

Outline of Final Research Achievements

A series of peptides derived from odorant-binding proteins (OBPs) were designed to recognize VOCs linked to SARS-CoV-2. Representative VOCs, including ethanol, nonanal, benzaldehyde, acetic acid, and acetone, which are found in exhaled breath during COVID-19 infection, were selected for this purpose. The peptides were characterized and analyzed using computational docking and prediction tools, assessing factors such as docking models, binding affinity, sequence specificity, and structural folding. In addition to OBP peptides, the study explored other bioreceptors like DNA aptamers and organic receptors such as APTES for their sensitivity in detecting small molecules, including cortisol and aromatic compounds. The interaction mechanisms between these receptors and their targets were elucidated using computational docking approaches.

Free Research Field

計測工学

Academic Significance and Societal Importance of the Research Achievements

The research on peptide-based plasmonic biosensors for detecting VOCs, biomarkers for diseases like COVID-19 and cancer, advances molecular detection technology. It enables early, non-invasive diagnosis, improving public health by enhancing early detection and monitoring capabilities.