| Project/Area Number |
26460145
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Drug development chemistry
|
|---|
| Research Institution | Kyushu Institute of Technology |
|---|
Principal Investigator |
aoki shunsuke 九州工業大学, 大学院情報工学研究院, 教授 (30392426)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
北村 充 九州工業大学, 大学院工学研究院, 教授 (10313199)
|
|---|
| Co-Investigator(Renkei-kenkyūsha) |
MATSUMOTO Kunio 金沢大学, がん進展制御研究所, 教授 (90201780)
|
|---|
| Project Period (FY) |
2014-04-01 – 2017-03-31
|
| Project Status |
Completed (Fiscal Year 2016)
|
| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2014: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
|
|---|
| Keywords | 結核 / ドッキングシミュレーション / 創薬化学 / 有機合成 / テーラーメード創薬 / 感染症 / 抗菌薬 / シミュレーション / ドッキング / 化合物ライブラリ / トリクロサン |
|---|
| Outline of Final Research Achievements |
In the past our research of in silico antibiotics screenings, we succeeded to identify several new chemical compounds with anti-tuberculosis activity. One of the compounds, KES4, was thought to be a promising lead compound with the highest mycobacterial selectivity. In this study we constructed in silico KES4-tailered chemical structure library, screened KES4-analog structures with higher activity and synthesized the analogs. We tested the activities of these analogs by bacteria growth inhibitory assay, and we identified 5 analogs with higher mycobacterial growth inhibitory activities, IC50 values = 1.8μM, 2.2μM, 3.4μM,7.8μM, 5.0μM vs KES4 activity = 9.6μM. Among them, 3 analogs do not have any toxicity against both human cultured cells and E. coli.
|
