| Project/Area Number |
12F02509
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| Research Category |
Grant-in-Aid for JSPS Fellows
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| Allocation Type | Single-year Grants |
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| Section | 外国 |
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| Research Field |
ケミカルバイオロジー
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| Research Institution | The Institute of Physical and Chemical Research |
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Principal Investigator |
VOET ARNOUT (2013) 独立行政法人理化学研究所, ライフサイエンス技術基盤研究センター, 国際特別研究員
ZHANG Kam (2012) 独立行政法人理化学研究所, Zhang独立主幹研究ユニット, ユニットリーダー
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| Co-Investigator(Kenkyū-buntansha) |
VOET Arnout 独立行政法人理化学研究所, Zhang独立主幹研究ユニット, 外国人特別研究員
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| Project Period (FY) |
2012 – 2014-03-31
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| Project Status |
Declined (Fiscal Year 2013)
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| Budget Amount *help |
¥1,700,000 (Direct Cost: ¥1,700,000)
Fiscal Year 2013: ¥900,000 (Direct Cost: ¥900,000)
Fiscal Year 2012: ¥800,000 (Direct Cost: ¥800,000)
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| Keywords | SUMO-SIM / Inhibitor / In Silico / ALPHAscreen / NMR / EleKit / SUMO-SBM / バーチャルスクリーニング / Poisson-Boltzmann |
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| Research Abstract |
Since the start of this project we have developed a computational approach to efficiently target protein-protein interactions, currently a hot topic in drug discovery. The sumo-sim interaction is essential in sumoylation and remains poorly understood. Therefore there is a need for a chemical probe to investigate this interaction. We have demonstrated the feasibility to target the SUMO-SIM interaction with druglike compounds for PPI inhibition as well as stimulation. These results have been published into 2 different publications. Given these promising results and after the development of the assays, a medium throughput screening experiment was set up and novel classes of compounds were identified that have possibly a more promising future for clinical usage. While this project is now terminated, it has opened a path to future research efforts as these compounds are interesting for optimization to analyse the sumo-SIM interactions and evaluate clinical usage (chemo and radio sensitization of cancer cells).
Furthermore parallel with this research a novel method to utilize electrostatics for drug discovery targeting protein-protein interactions was developed and evaluated. This new method was also employed during the SAMPL4 virtual screening challenge and helped in obtained the highest ranking score.
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| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
everything went as anticipated.
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| Strategy for Future Research Activity |
This research project has now been terminated as the research fellow changed to a RIKEN FPR fellowship.
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