2009 Fiscal Year Final Research Report
Theoretical Studies on Mechanisms of Prostanoid Biosyntheses
| Project/Area Number |
19550004
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Ibaraki University |
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Principal Investigator |
MORI Seiji Ibaraki University, 理学部, 准教授 (50332549)
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| Project Period (FY) |
2007 – 2009
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| Keywords | プロスタノイド / プロスタグランジンD_2合成酵素 / プロスタサイクリン合成酵素 / トロンボキサン合成酵素 / シトクロムP450 / UB3LYP密度汎関数法 / エンドペルオキシド / 反応機構 |
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| Research Abstract |
In this study, we conducted quantum chemical calculations for model reaction mechanisms of prostanoid formation reactions, which are important in biochemistry and pharmaceutical sciences. Whereas prostaglandin D_2/E_2 biosyntheses pass through two possible nucleophilic mechanisms, thromboxane and prostacyclin syntheses go through radical intermediate formation and single electron transfer. The single electron transfer step can be rationally explained by molecular orbital theory.
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