Design of Selective Histone Deacetylase (HDAC) Inhibitors
Applying the principles of fragment- and structure-based drug design, this project investigates novel structural templates for the discovery of selective HDAC inhibitors. The strategy is to design, synthesize, and screen small fragments with limited structural features. Preliminary biological evaluations of these fragments allow for an expeditious exploration of diverse chemical structures, and provide useful information about the protein-ligand interactions. Subsequent chemical modifications, guided by the observed structure-activity relationship (SAR) and computational modeling, are aimed to optimize the potency and potential selectivity among HDAC isoforms.
A bibliography of this group’s publications is attached. This research was featured in an MSI Research Spotlight in January 2015.
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