Structure-based design of novel inhibitors of the MDM2-p53 interaction

J Med Chem. 2012 Jun 14;55(11):4936-54. doi: 10.1021/jm300354j. Epub 2012 May 9.

Abstract

Structure-based rational design led to the discovery of novel inhibitors of the MDM2-p53 protein-protein interaction. The affinity of these compounds for MDM2 was improved through conformational control of both the piperidinone ring and the appended N-alkyl substituent. Optimization afforded 29 (AM-8553), a potent and selective MDM2 inhibitor with excellent pharmacokinetic properties and in vivo efficacy.

MeSH terms

  • Acetates / chemical synthesis*
  • Acetates / pharmacokinetics
  • Acetates / pharmacology
  • Animals
  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / pharmacokinetics
  • Antineoplastic Agents / pharmacology
  • Cell Line, Tumor
  • Cell Proliferation / drug effects
  • Crystallography, X-Ray
  • Drug Screening Assays, Antitumor
  • Hepatocytes / metabolism
  • Humans
  • Macaca fascicularis
  • Mice
  • Mice, Nude
  • Models, Molecular
  • Molecular Conformation
  • Neoplasm Transplantation
  • Piperidones / chemical synthesis*
  • Piperidones / pharmacokinetics
  • Piperidones / pharmacology
  • Protein Binding
  • Proto-Oncogene Proteins c-mdm2 / metabolism*
  • Rats
  • Stereoisomerism
  • Structure-Activity Relationship
  • Transplantation, Heterologous
  • Tumor Suppressor Protein p53 / metabolism*
  • rho GTP-Binding Proteins / biosynthesis

Substances

  • 2-(5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(2-hydroxypentan-3-yl)-3-methyl-2-oxopiperidin-3-yl)acetic acid
  • Acetates
  • Antineoplastic Agents
  • Piperidones
  • Tumor Suppressor Protein p53
  • Proto-Oncogene Proteins c-mdm2
  • rho GTP-Binding Proteins