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 crystal 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.
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申请公布号 |
US2004219607(A1) |
申请公布日期 |
2004.11.04 |
申请号 |
US20040848696 |
申请日期 |
2004.05.19 |
申请人 |
NIENABER VICKI L.;GREER JONATHAN;ABAD-ZAPATERO CELERINO;NORBECK DANIEL W. |
发明人 |
NIENABER VICKI L.;GREER JONATHAN;ABAD-ZAPATERO CELERINO;NORBECK DANIEL W. |
分类号 |
G01N23/20;G01N33/68;(IPC1-7):G01N33/53 |
主分类号 |
G01N23/20 |
代理机构 |
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