Optimization of 5-aryloxyimidazole non-nucleoside reverse transcriptase inhibitors

ChemMedChem. 2008 Nov;3(11):1756-62. doi: 10.1002/cmdc.200800183.

Abstract

A major problem associated with non-nucleoside reverse transcriptase inhibitors (NNRTIs) for the treatment of HIV is their vulnerability to mutations in the allosteric binding site of reverse transcriptase that can result in the development of a resistant virus. Herein we present the optimization of a series of 5-aryloxy imidazoles, which possess a balanced pharmacological profile against both wild-type enzyme and the clinically relevant mutations K103N and Y181C. Subtle structural changes were used to probe structure-activity relationships relating to both potency and metabolic stability, which led to an imidazole derivative with an impressive overall profile.

MeSH terms

  • Acquired Immunodeficiency Syndrome / drug therapy*
  • Allosteric Site
  • Antiviral Agents / pharmacology*
  • Cell Line
  • Chemistry, Pharmaceutical / methods
  • Drug Design
  • Drug Resistance, Viral / drug effects
  • HIV Reverse Transcriptase / chemistry
  • Humans
  • Imidazoles / chemistry*
  • Imidazoles / pharmacology
  • Inhibitory Concentration 50
  • Models, Chemical
  • Mutation
  • Reverse Transcriptase Inhibitors / chemical synthesis*
  • Reverse Transcriptase Inhibitors / pharmacology*
  • Sulfur Compounds / chemistry
  • Sulfur Compounds / pharmacology

Substances

  • Antiviral Agents
  • Imidazoles
  • Reverse Transcriptase Inhibitors
  • Sulfur Compounds
  • HIV Reverse Transcriptase
  • capravirine