Mechanisms of PI3Kβ-selective inhibition revealed by reciprocal mutagenesis

ACS Chem Biol. 2013 Apr 19;8(4):679-83. doi: 10.1021/cb300666s. Epub 2013 Feb 6.

Abstract

The p110β isoform of PI3 kinase (PI3Kβ) has been implicated in pathological disorders such as thrombosis and cancer and a number of PI3Kβ-selective inhibitors have recently progressed into clinical studies. Although crystallography studies identify a binding site conformation favored by the inhibitors, no specific interaction explains the observed selectivity. Using site-directed mutagenesis we have identified a specific tyrosine residue of the binding site Y778 that dictates the ability of the PI3Kβ isoform to bind these inhibitors. When mutated to isoleucine, PI3Kβ has reduced ability to present a specific cryptic binding site into which a range of reported PI3Kβ inhibitors can bind, and conversely when tyrosine is introduced into the same position in PI3Kα, the same inhibitors gain potency. The results provide a cogent explanation for the selectivity profiles displayed by these PI3K inhibitors and maybe others as well.

Publication types

  • Letter
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Enzyme Inhibitors / pharmacology*
  • Isoenzymes / antagonists & inhibitors*
  • Isoenzymes / chemistry
  • Models, Molecular
  • Mutagenesis*
  • Phosphatidylinositol 3-Kinases / chemistry
  • Phosphoinositide-3 Kinase Inhibitors*

Substances

  • Enzyme Inhibitors
  • Isoenzymes
  • Phosphoinositide-3 Kinase Inhibitors