发明名称 |
LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY |
摘要 |
X-ray crystallography can be used to screen compounds that are not known ligands of a target biomolecule for their ability to bind the target biomolecule. The method includes obtaining a crystal of a target biomolecule; exposing the target biomolecule crytal to one or more test samples; and obtaining an X-ray crystal diffraction pattern to determine whether a ligand/receptor complex is formed. The target is exposed to the test samples by either co-crystallizing a biomolecule in the presence of one or more test samples or soaking the biomolecule crystal in a solution of one or more test samples. In another embodiment, structural information from ligand/receptor complexes are used to design ligands that bind tighter, that bind more specifically, that have better biological activity or that have better safety profile. A further embodiment of the invention comprises identifying or designing biologically-active moieties by the instant process. In a further embodiment, a biomolecule crystal having an easily accessible active site is formed by co-crystallizing the biomolecule with a degradable ligand and degrading the ligand. |
申请公布号 |
WO9945379(A2) |
申请公布日期 |
1999.09.10 |
申请号 |
WO1999US04967 |
申请日期 |
1999.03.05 |
申请人 |
ABBOTT LABORATORIES |
发明人 |
NIENABER, VICKI, L.;GREER, JONATHAN;ABAD-ZAPATERO, CELERINO;NORBECK, DANIEL, W. |
分类号 |
G01N33/50;G01N23/20;G01N33/15;G01N33/53;G01N33/68 |
主分类号 |
G01N33/50 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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