| 研究課題/領域番号 |
12F02509
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| 研究種目 |
特別研究員奨励費
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| 配分区分 | 補助金 |
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| 応募区分 | 外国 |
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| 研究分野 |
ケミカルバイオロジー
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| 研究機関 | 独立行政法人理化学研究所 |
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研究代表者 |
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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| 研究分担者 |
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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| 研究期間 (年度) |
2012 – 2014-03-31
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| 研究課題ステータス |
採択後辞退 (2013年度)
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| 配分額 *注記 |
1,700千円 (直接経費: 1,700千円)
2013年度: 900千円 (直接経費: 900千円)
2012年度: 800千円 (直接経費: 800千円)
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| キーワード | 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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| 研究概要 |
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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| 現在までの達成度 (区分) |
現在までの達成度 (区分)
2: おおむね順調に進展している
理由
everything went as anticipated.
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| 今後の研究の推進方策 |
This research project has now been terminated as the research fellow changed to a RIKEN FPR fellowship.
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