STRUCTURE BASED DESIGN OF D-PROTEIN LIGANDS
    2.
    发明公开

    公开(公告)号:EP3369023A1

    公开(公告)日:2018-09-05

    申请号:EP16788669.6

    申请日:2016-10-27

    IPC分类号: G06F19/16 G06F19/18 G06F19/00

    摘要: A method of designing a D-polypeptide that binds with an L-target protein can include: identifying a polypeptide target having L-chirality; determining hotspot amino acids of a polypeptide ligand having L-chirality that have binding interactions with the L-target protein; determining transformations of side chains of the hotspot amino acids that retain the binding interactions with the target; generating inversed hotspot amino acids with chirality opposite to the one of the target; identifying a polypeptide having inverse chirality from the target protein, on which a combination of inversed hotspot amino-acid can be grafted without significantly changing their interactions with the target. The designed ligands can be processed and converted to D-ligands that bind with the L-target protein.