| Project/Area Number |
15K18897
|
|---|
| Research Category |
Grant-in-Aid for Young Scientists (B)
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Drug development chemistry
|
|---|
| Research Institution | Hokkaido University |
|---|
Principal Investigator |
ICHINOSE Wataru 北海道大学, 薬学研究院, 特別研究員(PD) (00636409)
|
|---|
| Project Period (FY) |
2015-04-01 – 2017-03-31
|
| Project Status |
Completed (Fiscal Year 2016)
|
| Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
|
|---|
| Keywords | ペプチドミメティック / 計算化学 / ライブラリー合成 / リード化合物 / バーチャルスクリーニング |
|---|
| Outline of Final Research Achievements |
The research purpose is to develop the efficient transformation from cyclic peptide to lead ligand in low molecular size. By the crystal structure of a cyclic peptide and target protein and the analysis based on Molecular Dynamics, the critical parts of amino acid residue and spacial arrangement were determined. The library of virtual compounds was designed with the cyclopropane frames that effectively restricted the molecular conformation, and screened by the model prepared as the above mentioned. A specific frame showed better agreement than the others. The synthesis of the focused library compounds was conducted. After many consideration, the preparation of common intermediate was accomplished.
|
