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US 6,934,639 B1Granted
Methods for designing agents that interact with MMP-13
AssigneeWyeth
InventorsJames M. Chen, Dominick Mobilio, Franklin J. Moy, Kevin D. Parris, Robert Powers, Zhang Bao Xu
Life of this patent
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Abstract
The present invention relates to the three dimensional structure of human collagenase 3 (MMP-13), as well as to (i) methods of using the MMP-13 structure to rationally design or identify compounds or molecules that inhibit or activate MMP-13 activity, and (ii) compounds identified using said methods.
Claims39
A method for designing an agent that interacts with MMP-13, comprising:
- providing a composition including MMP-13:
- generating a three dimensional model of MMP-13;
- and
- utilizing the three dimensional model to design an agent that interacts with MMP-13,
- wherein the three dimensional model of MMP-13 includes relative structural coordinates of a plurality of atoms of MMP-13, and the relative structural coordinates are selected according to:
- FIGS. 4 and 4A-1 to 4A-32, ± a root mean square deviation from the backbone atoms of amino acids of not more than 1.5 Å;
- or
- FIGS. 5 and 5A-1 to 5A-35, ± a root mean square deviation from the backbone atoms of amino acids of not more than 1.5 Å.
5 more elements
A method for designing an agent that interacts with MMP-13, comprising:
- generating a three dimensional model of MMP-13 including relative structural coordinates of a plurality of atoms of an active site of MMP-13 and relative structural coordinates of a first agent that interacts with MMP-13;
- utilizing the three dimensional model to design a second agent that interacts with MMP-13, wherein utilizing includes altering the relative structural coordinates of the first agent;
- synthesizing or obtaining the second agent;
- and
- determining the interaction of MMP-13 with the second agent,
- wherein the relative structural coordinates of MMP-13 are selected according to:
- FIGS. 4 and 4A-1 to 4A-32, ± a root mean square deviation from the backbone atoms of amino acids of not more than 1.5 Å;
- or
- FIGS. 5 and 5A-1 to 5A-35, ± a root mean square deviation from the backbone atoms of amino acids of not more than 1.5 Å.
6 more elements
A method for designing an agent that interacts with MMP-13, comprising:
- generating a three dimensional model of MMP-13;
- utilizing the three dimensional model to design an agent that interacts with MMP-13;
- and
- synthesizing or obtaining the agent,
- wherein the three dimensional model of MMP-13 includes relative structural coordinates of a plurality of atoms of MMP-13, and the relative structural coordinates are selected according to:
- FIGS. 4 and 4A-1 to 4A-32, ± a root mean square deviation from the backbone atoms of amino acids of not more than 1.5 Å;
- or
- FIGS. 5 and 5A-1 to 5A-35, ± a root mean square deviation from the backbone atoms of amino acids of not more than 1.5 Å.
5 more elements
Dependencies are inferred from the claim text.