CINF 26 |
| ArQule's parallel synthesis technology is a powerful tool and it is continually being expanded. We recently undertook a case study to construct a new virtual chemical space from fragments derived from available reagents and more than 30 ArQule Platform Chemistries. This procedure seeks to improve the synthetic accessibility of potentially valuable hit molecules and takes advantage of the diversity of commercially available reagents. FTree-FS software from BioSolveIT GmbH allows efficient searching across this space for novel chemical matter that shares chemical features with the known active molecules but with improved synthetic accessibility. We also describe the application of this new chemical space searching paradigm as part of ArQule's Kinase inhibitor platform (AKIPTM) to identify kinase inhibitors with a type IV mechanism of action. |
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Library Design, Search Methods and Applications of Fragment-based Drug Design
8:30 AM-11:20 AM, Monday, March 23, 2009 Salt Palace Convention Center -- 254 A, Oral
Division of Chemical Information |