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    USE OF NUCLEAR MAGNETIC RESONANCE TO DESIGN LIGANDS TO TARGET BIOMOLECULES
    51.
    发明专利
    USE OF NUCLEAR MAGNETIC RESONANCE TO DESIGN LIGANDS TO TARGET BIOMOLECULES 未知

    公开(公告)号：CA2237336A1

    公开(公告)日：1997-05-22

    申请号：CA2237336

    申请日：1996-11-13

    Applicant: ABBOTT LAB

    Inventor： HAJDUK PHILIP J ,  OLEJNICZAK EDWARD T ,  FESIK STEPHEN W

    IPC: C12Q1/00 ,  G01N24/08 ,  G01N33/53 ,  G01N33/58 ,  G01R33/465

    Abstract: The present invention provides a process of designing compounds which bind to a specific target molecule. The process includes the steps of a) identifying a first ligand to the target molecule using two-dimensional 15N/1H NMR correlation spectroscopy; b) identifying a second ligand to the target molecule using two-dimensional 15N/1H NMR correlation spectroscopy; c) forming a ternary complex by binding the first and second ligands to the target molecule; d) determining the three-dimensional structure of the ternary complex and thus the spatial orientation of the first and second ligands on the target molecule; and e) linking the first and second ligands to form the drug, wherein the spatial orientation of step (d) is maintained.

    58.
    发明专利
    未知

    公开(公告)号：DK0975954T3

    公开(公告)日：2004-06-07

    申请号：DK98918461

    申请日：1998-04-17

    Applicant: ABBOTT LAB

    Inventor： FESIK STEPHEN W ,  HAJDUK PHILIP J ,  OLEJNICZAK EDWARD T

    IPC: G01R33/32 ,  A61K45/00 ,  C07K14/705 ,  C12N9/00 ,  C12Q1/68 ,  G01N24/08 ,  G01N33/15 ,  G01N33/50 ,  G01N33/53 ,  G01N33/68 ,  G01R33/44

    Abstract: The present invention provides a process for identifying compounds which bind to a specific target molecule. The process comprises the steps of: a) generating a first T2- or diffusion-filtered proton spectrum of one or a mixture of chemical compounds; b) exposing one or a mixture of chemical compounds to the target molecule; c) generating a second T2- or diffusion-filtered proton spectrum of one or a mixture of chemical compounds that has been exposed the target molecule in step (b); and d) comparing said first and second T2- or diffusion-filtered proton spectra to determine differences between said first and said second spectra, the differences identifying the presence of one or more compounds that are ligands which have bound to the target molecule.

    59.
    发明专利
    未知

    公开(公告)号：AT261581T

    公开(公告)日：2004-03-15

    申请号：AT99119066

    申请日：1996-11-13

    Applicant: ABBOTT LAB

    Inventor： FESIK STEPHEN W ,  HAJDUK PHILIP J

    IPC: G01R33/465 ,  C12Q1/00 ,  G01N20060101 ,  G01N24/08 ,  G01N33/15 ,  G01N33/50 ,  G01N33/53 ,  G01N33/542 ,  G01N33/566 ,  G01N33/58 ,  G01N33/68

    Abstract: A method for designing and forming a ligand which binds to a specific target molecule comprises the steps of: (a) identifying a first ligand moiety that binds to the target molecule using two-dimensional N/ H NMR correlation spectroscopy; (b) identifying subsequent ligand moieties that bind to the target molecule using two-dimensional N/ H NMR correlation spectroscopy; (c) forming a complex of the first and subsequent ligand moieties to the target molecule; (d) determining the three-dimensional structure of the complex and, thus, the spatial orientation of the first and subsequent ligand moieties on the target molecule; and (e) linking the first and subsequent ligand moieties to form a new ligand to maintain the spatial orientation of the ligand moieties.

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