Development of new antituberculous drugs based on CoMFA 3D-QSAR analysis
| Project/Area Number |
23659506
|
|---|
| Research Category |
Grant-in-Aid for Challenging Exploratory Research
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Infectious disease medicine
|
|---|
| Research Institution | Shimane University |
|---|
Principal Investigator |
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
SANO Chiaki 島根大学, 医学部, 准教授 (70325059)
TATANO Yutaka 島根大学, 医学部, 助教 (70432614)
KANEHIRO Yuichi 島根大学, 医学部, 助教 (60609197)
|
|---|
| Project Period (FY) |
2011 – 2012
|
| Project Status |
Completed (Fiscal Year 2012)
|
| Budget Amount *help |
¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2012: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2011: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
|
|---|
| Keywords | 感染防御・制御 / オートファジー / 定量的構造活性相関 / 結核菌 / PknG / ビルレンス / 3次元QSAR解析法 / ドッキングモデル / 阻害剤 / PtpA |
|---|
| Research Abstract |
We explored the possibility of producing novel compounds that can target PknG protein with serine/threonine kinase activity with a modified luciferase assay. Ascreening test using the commercial library of protein kinase inhibitor including 80 chemical compounds was run, and AX20017, which is known as a specific inhibitor against PknG targeting the ATP-binding site, was used as a control inhibitor. Fourcompounds were showed a more favorable inhibition of PknG. Molecular docking analysiswas carried out. Three of the four novel compounds interacted with a central kinase domain containing the ATP-binding pocket in silico, similar to AX20017. These four novel lead-compounds are promising candidates for anti-tuberculous drugs.
|
Report
(3 results)
Research Products
(78 results)
