发明名称 |
OBTAINING AN IMPROVED THERAPEUTIC LIGAND |
摘要 |
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. |
申请公布号 |
WO2014198951(A2) |
申请公布日期 |
2014.12.18 |
申请号 |
WO2014EP62478 |
申请日期 |
2014.06.13 |
申请人 |
UCB BIOPHARMA SPRL |
发明人 |
SHI, JIYE;BAKER, TERENCE SEWARD;LAWSON, ALASTAIR DAVID GRIFFITHS;LIU, XIAOFENG |
分类号 |
G06F19/00 |
主分类号 |
G06F19/00 |
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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