2013 Fiscal Year Final Research Report
Development of Novel Antioxidants Based on Thermodynamic Parameters Calculated by Density Functional Theory
| Project/Area Number |
23590064
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Physical pharmacy
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| Research Institution | National Institute of Radiological Sciences |
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Principal Investigator |
NAKANISHI Ikuo 独立行政法人放射線医学総合研究所, 重粒子医科学センター, 主任研究員 (70356137)
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| Project Period (FY) |
2011 – 2013
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| Keywords | 活性酸素種 / 抗酸化物質 / ラジカル / 有機化学 / 計算化学 |
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| Research Abstract |
To prevent life-style related diseases, senescence, as well as radiation damage, we designed and synthesized phenolic antioxidants with lower O-H dissociation energies (D(HT)) of the phenolic OH group or ionization potentials (IP) than natural antioxidants based on the density functional theory calculations. The compounds, thus obtained, showed significantly higher radical-scavenging activity as compared to parent antioxidants. The lower the calculated D(HT) or IP values is, the higher the radical-scavenging activity becomes. Furthermore, some of the compounds showed radioprotective activity toward rat thymocytes without toxicity. However, no correlation was observed between radical-scavenging and radioprotective activities of these antioxidants, indicating that other factors, such as lipophilicity, are important to use these compounds toward cells and animals.
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[Remarks] ①アスコルビン酸のラジカル消去を検討、科学新聞、2013年3月29日
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[Remarks] ②放射線治療、より安全に放医研、細胞防護へ新技術、日本経済新聞、2012年6月20日
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[Remarks] ③放医研、放射線防護効果を迅速・簡便などでスクリーニングできる手法を確立、マイナビニュース、2012年6月12日
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[Remarks] ④メラトニンのROS消去反応を速度論的に検討、科学新聞、2012年3月23日
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[Remarks] ⑤カテキン誘導体を合成ラジカル消去活性示す、科学新聞、2012年3月24日
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