Quantifying CDK inhibitor selectivity in live cells

Nat Commun. 2020 Jun 2;11(1):2743. doi: 10.1038/s41467-020-16559-0.

Abstract

Concerted multidisciplinary efforts have led to the development of Cyclin-Dependent Kinase inhibitors (CDKi's) as small molecule drugs and chemical probes of intracellular CDK function. However, conflicting data has been reported on the inhibitory potency of CDKi's and a systematic characterization of affinity and selectivity against intracellular CDKs is lacking. We have developed a panel of cell-permeable energy transfer probes to quantify target occupancy for all 21 human CDKs in live cells, and present a comprehensive evaluation of intracellular isozyme potency and selectivity for a collection of 46 clinically-advanced CDKi's and tool molecules. We observed unexpected intracellular activity profiles for a number of CDKi's, offering avenues for repurposing of highly potent molecules as probes for previously unreported targets. Overall, we provide a broadly applicable method for evaluating the selectivity of CDK inhibitors in living cells, and present a refined set of tool molecules to study CDK function.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • CDC2 Protein Kinase
  • Cell Cycle Checkpoints / drug effects*
  • Cyclin-Dependent Kinase 2
  • Cyclin-Dependent Kinase 4
  • Cyclin-Dependent Kinase 6
  • Cyclin-Dependent Kinase 9
  • Cyclin-Dependent Kinase Inhibitor Proteins / pharmacology*
  • Cyclin-Dependent Kinases / antagonists & inhibitors*
  • Enzyme Inhibitors / pharmacology
  • HEK293 Cells
  • Humans
  • Phosphorylation
  • Structure-Activity Relationship

Substances

  • Cyclin-Dependent Kinase Inhibitor Proteins
  • Enzyme Inhibitors
  • CDC2 Protein Kinase
  • Cyclin-Dependent Kinase 2
  • Cyclin-Dependent Kinase 4
  • Cyclin-Dependent Kinase 6
  • Cyclin-Dependent Kinase 9
  • Cyclin-Dependent Kinases