Identification of novel ligands for the RNA pseudoknot that regulate -1 ribosomal frameshifting

Bioorg Med Chem. 2008 Apr 15;16(8):4676-84. doi: 10.1016/j.bmc.2008.02.025. Epub 2008 Feb 13.

Abstract

In many viruses, -1 ribosomal frameshifting (-1RF) regulates synthesis of proteins and is crucial for virus production. An RNA pseudoknot is one of the essential components of the viral -1RF system. Thermodynamic or kinetic control of pseudoknot folding may be important in regulating the efficiency of -1RF. Thus, small molecules that interact with viral RNA pseudoknots may disrupt the -1RF system and show antiviral activity. In this study, we conducted virtual screening of a chemical database targeting the X-ray crystal structure of RNA pseudoknot complexed with biotin to identify ligands that may regulate an -1RF system containing biotin-aptamer as an RNA pseudoknot component. After docking screening of about 80,000 compounds, 58 high-ranked hits were selected and their activities were examined by in vitro and cell-based -1 frameshifting assays. Six compounds increased the efficiency of -1 frameshifting, and these are novel small molecule compounds that regulate the -1RF.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Base Sequence
  • Biotin / chemistry
  • Databases, Factual
  • Frameshifting, Ribosomal*
  • Ligands
  • Models, Molecular
  • Molecular Structure
  • Protein Biosynthesis / genetics
  • RNA / chemistry*
  • RNA / genetics*
  • Transcription, Genetic / genetics

Substances

  • Ligands
  • RNA
  • Biotin