MEDI 119 |
| A focused library has been designed and synthesized for targeting protein kinases. Based on a GSK3 inhibitor scaffold, an altered enzyme binding warhead has been proposed. Designed synthetic route allows for three points of diversity. Pyrimidine were chosen from CGeneTech in house building blocks library, and selected according to docking results. Indole aldehydes were designed de novo based on structure-based overlays with other kinase inhibitors and docking experiments. The full library was then docked to the GSK3 kinase and CDk2 structure using AutoDocker algorithm to ensure that binding modes consistent with the x-ray structure. The libraries are synthesized and tested against a kinase panel to determine potency and selectivity. |
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General Poster Session
7:00 PM-9:00 PM, Sunday, 10 September 2006 Moscone Center -- Hall D, Poster
Sci-Mix
Division of Medicinal Chemistry |