"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors

J Med Chem. 2017 Mar 9;60(5):2155-2161. doi: 10.1021/acs.jmedchem.7b00033. Epub 2017 Feb 24.

Abstract

While adding the structural features that are more favored by on-target activity is the more common strategy in selectivity optimization, the opposite strategy of subtracting the structural features that contribute more to off-target activity can also be very effective. Reported here is our successful effort of improving the kinase selectivity of type II maternal embryonic leucine zipper kinase inhibitors by applying these two complementary approaches together, which clearly demonstrates the powerful synergy between them.

MeSH terms

  • Crystallography, X-Ray
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology*
  • Leucine Zippers*
  • Protein Serine-Threonine Kinases / antagonists & inhibitors*

Substances

  • Enzyme Inhibitors
  • MELK protein, human
  • Protein Serine-Threonine Kinases