2023 Fiscal Year Final Research Report
Establishment of a fundamental technology for designing new aptamers using molecular simulation methods
| Project/Area Number |
21K12129
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Review Section |
Basic Section 62010:Life, health and medical informatics-related
|
|---|
| Research Institution | Nihon University |
|---|
Principal Investigator |
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
坂本 泰一 千葉工業大学, 先進工学部, 教授 (40383369)
石川 岳志 鹿児島大学, 理工学域工学系, 教授 (80505909)
|
|---|
| Project Period (FY) |
2021-04-01 – 2024-03-31
|
| Keywords | アプタマー / 計算化学 / 分子シミュレーション / 分子動力学計算 / フラグメント分子軌道計算 / 核酸 / シミュレーション / 分子認識 |
|---|
| Outline of Final Research Achievements |
Aptamers are known to adapt a characteristic conformation and bind to their target molecule with high affinity and specificity. Aptamers are potentially useful agents in various applications such as diagnostics, therapeutics, and biosensing. This study aimed to establish a fundamental technology based on computer simulations for designing new aptamers. We experimentally and computationally analyzed the effects of chemical modifications on the three-dimensional structures of the aptamers and the molecular interactions between aptamers and their target molecules. These results are expected to enhance our understanding of aptamer binding mechanisms.
|
| Free Research Field |
計算化学
|
| Academic Significance and Societal Importance of the Research Achievements |
アプタマー開発工程において、これまで研究者の経験に頼るところが大きかった「塩基配列の最適化工程」や「修飾置換基の導入工程」に対して、本研究の成果は論理的な知見を提供することができる。これにより、アプタマーの開発効率を飛躍的に向上させられると期待でき、これまでの方法では実現できなかった画期的なアプタマーの開発につながる。
|
