High-Throughput Screening, Discovery, and Optimization To Develop a Benzofuran Class of Hepatitis C Virus Inhibitors

ACS Comb Sci. 2015 Oct 12;17(10):641-52. doi: 10.1021/acscombsci.5b00101. Epub 2015 Sep 17.

Abstract

Using a high-throughput, cell-based HCV luciferase reporter assay to screen a diverse small-molecule compound collection (∼ 300,000 compounds), we identified a benzofuran compound class of HCV inhibitors. The optimization of the benzofuran scaffold led to the identification of several exemplars with potent inhibition (EC50 < 100 nM) of HCV, low cytotoxicity (CC50 > 25 μM), and excellent selectivity (selective index = CC50/EC50, > 371-fold). The structure-activity studies culminated in the design and synthesis of a 45-compound library to comprehensively explore the anti-HCV activity. The identification, design, synthesis, and biological characterization for this benzofuran series is discussed.

Keywords: HCV inhibitor; HCV replication; antiviral; benzofuran; hepatitis C.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, N.I.H., Intramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Antiviral Agents / chemical synthesis*
  • Antiviral Agents / pharmacology*
  • Antiviral Agents / toxicity
  • Benzofurans / chemical synthesis*
  • Benzofurans / pharmacology*
  • Benzofurans / toxicity
  • Cell Line
  • Drug Discovery
  • Hepacivirus / drug effects*
  • Hepatitis C / drug therapy
  • Hepatitis C / virology
  • High-Throughput Screening Assays
  • Humans
  • Small Molecule Libraries
  • Structure-Activity Relationship
  • Virus Replication / drug effects

Substances

  • Antiviral Agents
  • Benzofurans
  • Small Molecule Libraries