2016 Fiscal Year Final Research Report
Deformability analysis for rational design of sugar-modified oligonucleotides
| Project/Area Number |
26810086
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Bio-related chemistry
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Keywords | 核酸医薬 / 化学修飾核酸 / RNA / 分子動力学計算 / 二重鎖融解温度 |
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| Outline of Final Research Achievements |
Nucleic acid drug is a promising candidate for the development of effective treatment for genetic diseases. However, nucleic acid drugs have multiple issues and therefore have not been widely used. In this study, we focused on the affinity of nucleic acid drug with the target transcripts. We used molecular dynamic simulations for the development of rational molecular design method. The effect of chemical modification on duplex stability could be evaluated by calculating the force constants of the fluctuation of base pair step parameters during molecular dynamic simulations. In addition, we revealed that the influence on the fluctuation of phosphate backbone plays a key role on duplex stability. In summary, we developed a new molecular design method to solve the affinity issue of nucleic acid drugs.
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| Free Research Field |
核酸化学
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