Practical medicinal chemistry on the basis of protein chemistry, computational science and synthetic technologies for a variety of heterocycles

2014 Fiscal Year Final Research Report

• Project/Area Number: 23390025
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Drug development chemistry
• Research Institution: Kyoto University
• Principal Investigator: FUJII Nobutaka 京都大学, 薬学研究科(研究院), 教授 (60109014)
• Co-Investigator(Kenkyū-buntansha): KITAURA Kazuo 神戸大学, 大学院システム情報学研究科, 教授 (30132723) ; OHNO Hiroaki 京都大学, 大学院薬学研究科, 教授 (30322192)
• Project Period (FY): 2011-04-01 – 2015-03-31
• Keywords: CXCR4 / CXCR7 / ケモカイン / CK2 / キナーゼ / KSP / キネシン / 複素環

Outline of Final Research Achievements

The structural requirements and binding modes of cyclic pentapeptide CXCR4 antagonists were revealed via a structure-activity relationship study using a series of peptidomimetics as well as molecular modeling studies. Novel CXCR7 ligands with cyclic peptide and heterocyclic scaffolds were also identified via two lead-discovery approaches. Several facile synthetic processes for unique nitrogen heterocycles were established using transition-metal catalyzed multi-component reactions and applied to the synthesis of a number of potent CK2 kinase inhibitors and KSP inhibitors with favorable physicochemical properties.

Free Research Field

創薬化学