The efficient transformation from cyclic peptide to lead ligand

2016 Fiscal Year Final Research Report

• 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
• Keywords: ペプチドミメティック / 計算化学 / ライブラリー合成

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.

Free Research Field

有機合成化学