Molecular design and enzyme inhibition mode using software supported by computer for antitumor active flavin derivatives
| Project/Area Number |
20590102
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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 |
Drug development chemistry
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| Research Institution | Okayama University |
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Principal Investigator |
NAGAMATSU Tomohisa Okayama University, 大学院・医歯薬学総合研究科, 准教授 (40155966)
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| Co-Investigator(Kenkyū-buntansha) |
OTSUKA Masato 岡山大学, 自然生命科学研究支援センター, 准教授 (30243489)
AJAYA Shretha R. 岡山大学, 大学院・医歯薬学総合研究科, 博士後期課程学生
SHINDO Takashi 岡山大学, 大学院・医歯薬学総合研究科, 博士後期課程学生
IKEUCHI Momoe 岡山大学, 大学院・医歯薬学総合研究科, 博士後期課程学生
ASHIDA Noriyuki ヤマサ醤油, 薬品化学研究室, 室長
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| Project Period (FY) |
2008 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2009: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2008: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
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| Keywords | フラビン / デアザフラビン / ステロイド / 抗腫瘍 / 酵素阻害 / オートドッキング / 構造活性相関 / インシリコ / イン・シリコ |
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| Research Abstract |
The present study is the research for the purpose of the development of new antineoplastic drugs, which obstruct the tyrosine kinase of the enzyme concerned with the cell proliferation function adjustment and inhibit the tumor cell multiplication. We built the virtual screening system depended on the antitumor activities and docking data into the enzyme of deazaflavin analogs. The high, new and efficient search system, which can synthesize and evaluate the significant compounds designed as antitumor active compounds based on the virtual screening system, was constructed in this study.
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Report
(4 results)
Research Products
(20 results)
