| Project/Area Number |
20710172
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Living organism molecular science
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| Research Institution | Nigata University of Phermacy and Applied Life Sciences |
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Principal Investigator |
TAMIYA Minoru Nigata University of Phermacy and Applied Life Sciences, 応用生命科学部, 助教 (10468960)
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| Project Period (FY) |
2008 – 2009
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| Project Status |
Completed (Fiscal Year 2009)
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| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2009: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2008: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Keywords | 有機合成 / コンピュータシミュレーション |
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| Research Abstract |
The Bradykinin B1 receptor (B1R), belonging to GPCR family, plays an important role in the pathophysiological process of pain and inflammation. Because of these reasons, we aimed to the clarification of the mechanism of action of B1R. First, we constructed the structural models of the B1 receptor. Then, velutinol A was docked in the models of the B1 receptor, followed by energy-minimization and structure-optimization with molecular dynamic calculations. From this docking simulation, we could anticipate the important substituent of velutinol A for the binding to B1R. On the other hand, we have also started the synthesis of velutinol A. Finally we could synthesize the key intermediate for the following synthesis and SAR study. Now we are pushing on the total synthesis of velutinol A and its analogs for the study of mechanism of action of B1R.
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