Development of NMR drug discovery pipeline using database
| Project/Area Number |
15K06970
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Structural biochemistry
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| Research Institution | Osaka University |
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Principal Investigator |
Kobayashi Naohiro 大阪大学, たんぱく質研究所, 特任准教授(常勤) (80272160)
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| Co-Investigator(Kenkyū-buntansha) |
児嶋 長次郎 横浜国立大学, 大学院工学研究院, 教授 (50333563)
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| Co-Investigator(Renkei-kenkyūsha) |
HIROAKI Hidekazu 名古屋大学, 創薬科学研究科, 教授 (10336589)
MOTONO Chie 産業技術総合研究所, 創薬分子プロファイリング研究センター, 主任研究員 (80415752)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2016: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2015: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Keywords | 核磁気共鳴法 / データベース / 自動解析 / ＮＭＲ / ホモロジーモデリング / NMR / モデリング |
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| Outline of Final Research Achievements |
The three-dimensional structure encoded in the genome sequence experimentally determined is about 10% of the total, and recently there are tendencies for cases of drug discovery research using a structure prediction model. In this research project, we have constructed a drug discovery support database that links a model structure database that can be a target of nuclear magnetic resonance (NMR) research, which is lined to several external life science databases such as BMRB, a database of NMR experiment data. In the period from FY2016 to FY2017, utilizing a database, we designed an automatic analysis pipeline based on deep learning, and determined the NMR signal assignments and the solution tertiary structure required for drug discovery research using about 25% of NMR data sets. The new technology has sucessfully shortened automatic NMR analysis to about half a day.
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Report
(4 results)
Research Products
(19 results)
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[Journal Article] OneDep: Unified wwPDB System for Deposition, Biocuration, and Validation of Macromolecular Structures in the PDB Archive.2017
Author(s)
Young JY, Westbrook JD, Feng Z, Sala R, Peisach E, Oldfield TJ, Sen S, Gutmanas A, Armstrong DR, Berrisford JM, Chen L, Chen M, Di Costanzo L, Dimitropoulos D, Gao G, Ghosh S, Gore S, Guranovic V, Hendrickx PM, Hudson BP, Igarashi R, Ikegawa Y, Kobayashi N et al.
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Journal Title
Structure
Volume: 25
Issue: 3
Pages: 536-545
DOI
Related Report
Peer Reviewed / Int'l Joint Research
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[Journal Article] Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins2016
Author(s)
Yokochi Masashi, Kobayashi Naohiro, Ulrich Eldon, Kinjo Akira, Iwata Takeshi, Ioannidis Yannis, Livny Miron, Markley John, Nakamura Haruki, Kojima Chojiro, Fujiwara Toshimichi
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Journal Title
Journal of Biomedical Semantics
Volume: 7
Issue: 1
Pages: 1-4
DOI
Related Report
Peer Reviewed / Open Access / Int'l Joint Research
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[Presentation] New strategy for high-throughput NMR analysis using the NMR database BMRB and tools for automated NMR analysis, MagRO, FLYA and CYANA2015
Author(s)
Naohiro Kobayashi, Masashi Yokochi, Takeshi Iwata, Bikash Ranjan Sahoo, Takashi Nagata, John L. Markley, Eldon L. Ulrich, Elena Schmidt, Peter Guentert, Chojiro Kojima and Toshimichi Fujiwara
Organizer
International Society of Magnetic Resonance 2016
Place of Presentation
CELAP, Shanghai, China
Year and Date
2015-08-16
Related Report
Int'l Joint Research
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