Development of Novel Antioxidants Based on Thermodynamic Parameters Calculated by Density Functional Theory
| Project/Area Number |
23590064
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Physical pharmacy
|
|---|
| Research Institution | National Institute of Radiological Sciences |
|---|
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)
|
|---|
| Project Period (FY) |
2011 – 2013
|
| Project Status |
Completed (Fiscal Year 2013)
|
| Budget Amount *help |
¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2011: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
|
|---|
| Keywords | 活性酸素種 / 抗酸化物質 / ラジカル / 有機化学 / 計算化学 |
|---|
| 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.
|
Report
(4 results)
Research Products
(146 results)
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
[Journal Article] Roles of mitochondria-generated reactive oxygen species on X-ray-induced apoptosis in a human hepatocellular carcinoma cell line, HLE.2012
Author(s)
Indo HP, Inanami O, Koumura T, Suenaga S, Yen H-C, Kakinuma S, Matsumoto K, Nakanishi I, St Clair W, St Clair DK, Matsui H, Cornette R, Gusev O, Okuda T, Nakagawa Y, Ozawa T & Majima HJ
-
Journal Title
Free Radical Research
Volume: Vol. 46, No. 8
Issue: 8
Pages: 1029-1043
DOI
Related Report
Peer Reviewed
-
-
[Journal Article] Kinetics and Mechanism for the Scavenging Reaction of the 2,2-Diphenyl-1-picrylhydrazyl Radical by Synthetic Artepillin C Analogues2012
Author(s)
T. Kawashima, S. Manda, Y. Uto, K. Ohkubo, H. Hori, K. Matsumoto, K. Fukuhara, N. Ikota, S. Fukuzumi, T. Ozawa, K. Anzai, I. Nakanishi
-
Journal Title
Bulletin of the Chemical Society of Japan
Volume: 85
Issue: 8
Pages: 877-883
DOI
NAID
ISSN
0009-2673, 1348-0634
Related Report
Peer Reviewed
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
