Druggability of methyl-lysine binding sites

J Comput Aided Mol Des. 2011 Dec;25(12):1171-8. doi: 10.1007/s10822-011-9505-2. Epub 2011 Dec 7.

Abstract

Structural modules that specifically recognize--or read--methylated or acetylated lysine residues on histone peptides are important components of chromatin-mediated signaling and epigenetic regulation of gene expression. Deregulation of epigenetic mechanisms is associated with disease conditions, and antagonists of acetyl-lysine binding bromodomains are efficacious in animal models of cancer and inflammation, but little is known regarding the druggability of methyl-lysine binding modules. We conducted a systematic structural analysis of readers of methyl marks and derived a predictive druggability landscape of methyl-lysine binding modules. We show that these target classes are generally less druggable than bromodomains, but that some proteins stand as notable exceptions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Drug Design*
  • Histones / antagonists & inhibitors*
  • Histones / chemistry
  • Histones / metabolism*
  • Humans
  • Lysine / chemistry
  • Lysine / metabolism*
  • Methylation
  • Models, Molecular
  • Protein Structure, Tertiary
  • Small Molecule Libraries / chemistry*
  • Small Molecule Libraries / pharmacology*

Substances

  • Histones
  • Small Molecule Libraries
  • Lysine