Identification of aminoethyl pyrrolo dihydroisoquinolinones as novel poly(ADP-ribose) polymerase-1 inhibitors

Bioorg Med Chem Lett. 2009 Aug 1;19(15):4042-5. doi: 10.1016/j.bmcl.2009.06.031. Epub 2009 Jun 13.

Abstract

PARP inhibitors have been demonstrated to retard intracellular DNA repair and therefore sensitize tumor cells to cytotoxic agents or ionizing radiation. We report the identification of a novel class of PARP1 inhibitors, containing a pyrrolo moiety fused to a dihydroisoquinolinone, derived from virtual screening of the proprietary collection. SAR exploration around the nitrogen of the aminoethyl appendage chain of 1 led to compounds that displayed low nanomolar activity in a PARP1 enzymatic assay.

MeSH terms

  • Antineoplastic Agents / pharmacology
  • Binding Sites
  • Chemistry, Pharmaceutical / methods
  • Crystallography, X-Ray / methods
  • DNA Repair
  • Drug Design
  • Humans
  • Hydrogen Bonding
  • Inhibitory Concentration 50
  • Ligands
  • Models, Chemical
  • Poly(ADP-ribose) Polymerase Inhibitors*
  • Polymers / chemistry
  • Quinolones / chemistry*
  • Structure-Activity Relationship

Substances

  • Antineoplastic Agents
  • Ligands
  • Poly(ADP-ribose) Polymerase Inhibitors
  • Polymers
  • Quinolones