Following clinical validation of drug candidates targeting histone deacetylases and DNA methyltransferases, protein families involved in epigenetic signaling are emerging as novel and promising targets in diverse disease areas. We used existing and novel computational tools to 1) evaluate the chemical tractability of epigenetic target classes, 2) propose rules dictating potent and selective chemical inhibition, 3) extract chemical scaffolds from the PDB that may inspire medicinal chemistry programs, and 4) allow medicinal chemists to easily browse through high-resolution structural data. Emphasis will be given to histone methyltransferases, methyl-lysine readers, and histone tail recognition.

Epigenetic target classes: Structural chemistry and drug design

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.