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    OBTAINING AN IMPROVED THERAPEUTIC LIGAND
    1.
    发明申请
    OBTAINING AN IMPROVED THERAPEUTIC LIGAND 审中-公开
    获得改进的治疗配偶

    公开(公告)号：WO2014198951A3

    公开(公告)日：2015-08-27

    申请号：PCT/EP2014062478

    申请日：2014-06-13

    Applicant: UCB BIOPHARMA SPRL

    Inventor： SHI JIYE ,  BAKER TERENCE SEWARD ,  LAWSON ALASTAIR DAVID GRIFFITHS ,  LIU XIAOFENG

    IPC: G06F19/00 ,  G06F19/16

    CPC classification number: G06F19/12 ,  C07K16/244 ,  C07K2317/55 ,  C07K2317/76 ,  G06F19/16 ,  G06F19/706 ,  G06F19/709

    Abstract: Methods and associated apparatus involving designing a ligand ab initio that will bind to a binding site of a macromolecular target, or of identifying a modification to a ligand for improving the affinity of the ligand to a binding site of a macromolecular target, comprising using information about non-bonding, intra-molecular or inter-molecular atom to atom contacts extracted from a database of biological macromolecules to identify favoured regions adjacent to the binding site for particular atom types and modifying a candidate ligand to increase the intersection between atoms of the candidate ligand and the favoured regions. One or more steps of the methods may be performed by a computer.

    Abstract translation: 涉及设计一种将结合大分子靶标的结合位点的配位体或者鉴定对配体的修饰以改善配体对大分子靶标的结合位点的亲和力的方法和相关设备，包括使用关于 从生物大分子数据库中提取的非键合，分子内或分子间或分子间原子与原子接触，以鉴定与特定原子类型的结合位点相邻的有利区域，并修饰候选配体以增加候选配体的原子之间的相交 和优惠地区。 方法的一个或多个步骤可以由计算机执行。

    OBTAINING AN IMPROVED THERAPEUTIC LIGAND
    6.
    发明专利
    OBTAINING AN IMPROVED THERAPEUTIC LIGAND 未知

    公开(公告)号：SG10201707917UA

    公开(公告)日：2017-10-30

    申请号：SG10201707917U

    申请日：2014-06-13

    Applicant: UCB BIOPHARMA SPRL

    Inventor： SHI JIYE ,  BAKER TERENCE SEWARD ,  LAWSON ALASTAIR DAVID GRIFFITHS ,  LIU XIAOFENG

    Abstract: Methods and associated apparatus involving designing a ligand ab initio that will bind to a binding site of a macromolecular target, or of identifying a modification to a ligand for improving the affinity of the ligand to a binding site of a macromolecular target, comprising using information about non-bonding, intra-molecular or inter-molecular atom to atom contacts extracted from a database of biological macromolecules to identify favoured regions adjacent to the binding site for particular atom types and modifying a candidate ligand to increase the intersection between atoms of the candidate ligand and the favoured regions. One or more steps of the methods may be performed by a computer.

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