The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-Part 1

ChemMedChem. 2014 Jul;9(7):1378-86. doi: 10.1002/cmdc.201400045. Epub 2014 Apr 11.

Abstract

Nonstructural protein 5A (NS5A) represents a novel target for the treatment of hepatitis C virus (HCV). Daclatasvir, recently reported by Bristol-Myers-Squibb, is a potent NS5A inhibitor currently under investigation in phase 3 clinical trials. While the performance of daclatasvir has been impressive, the emergence of resistance could prove problematic and as such, improved analogues are being sought. By varying the biphenyl-imidazole unit of daclatasvir, novel inhibitors of HCV NS5A were identified with an improved resistance profile against mutant strains of the virus while retaining the picomolar potency of daclatasvir. One compound in particular, methyl ((S)-1-((S)-2-(4-(4-(6-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)quinoxalin-2-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate (17), exhibited very promising activity and showed good absorption and a long predicted human pharmacokinetic half-life. This compound represents a promising lead that warrants further evaluation.

Keywords: HCV; NS5A; antiviral agents; drug resistance; hepatitis C virus; viral proteases.

MeSH terms

  • Animals
  • Antiviral Agents / chemical synthesis
  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacokinetics
  • Cell Line
  • Dogs
  • Drug Evaluation, Preclinical
  • Drug Resistance, Viral
  • Half-Life
  • Hepacivirus / metabolism
  • Humans
  • Microsomes, Liver / metabolism
  • Protease Inhibitors / chemistry*
  • Protease Inhibitors / pharmacokinetics
  • Quinoxalines / chemical synthesis
  • Quinoxalines / chemistry*
  • Quinoxalines / pharmacokinetics
  • Rats
  • Structure-Activity Relationship
  • Valine / analogs & derivatives*
  • Valine / chemical synthesis
  • Valine / chemistry
  • Valine / pharmacokinetics
  • Viral Nonstructural Proteins / antagonists & inhibitors*
  • Viral Nonstructural Proteins / metabolism

Substances

  • Antiviral Agents
  • Protease Inhibitors
  • Quinoxalines
  • Viral Nonstructural Proteins
  • methyl (1-(2-(4-(4-(6-(2-(1-((methoxycarbonyl)valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)quinoxalin-2-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
  • NS-5 protein, hepatitis C virus
  • Valine