Structure-based Design of Cdk4/6-Specific Inhibitors

Abstract

The CDk4/6 kinase has elevated activity in spontaneous breast cancer, making it an excellent candidate for targeted inhibition for the treatment of breast cancer. We propose to prepare a CDK4/6-specific kinase inhibitor that is based on the naturally occurring CDK4/6 specific inhibitory proteins of the INK4 family. Since the INK4 proteins are notoriously unstable, we have been working towards the preparation and structural characterization of INK4 proteins with improved thermostability that could be used as a scaffold to prepare peptide sub-fragments that may serve as a scaffold to prepare "small molecule" CDK4/6- specific inhibitory. During the funding period, we have successfully prepared p18INK4c and p16INK4a proteins with increased thermostability and have characterized the structure of a subset of the more' thermostable p18INK4c proteins. Crystallization of a more thermostable p16INK4a protein (HTM-p16INK4a) is in progress. In the coming year, we will prepare crystals of HTM- p16INK4a that are suitable for X-ray structure determination, characterize its structure using X-ray crystallography and use the structure as a scaffold for the preparation of"' small molecule" CDK416-specific inhibitors that may be useful for the treatment of breast cancer.

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 2005
Accession Number
ADA443775

Entities

People

  • Ronen Marmorstein

Organizations

  • University of Pennsylvania

Tags

DTIC Thesaurus Topics

  • Amino Acids
  • Army
  • Breast Cancer
  • Cell Physiological Processes
  • Chemical Stability
  • Chemical Synthesis
  • Chemistry
  • Crystal Structure
  • Crystallization
  • Crystallography
  • Crystals
  • Department Of Defense
  • Molecules
  • Neoplasms
  • Small Molecules
  • Thermostability
  • X Rays

Fields of Study

  • Chemistry

Readers

  • Molecular Biology and Genetics
  • Molecular and Cellular Biochemistry
  • Nanocomposite Materials Science