Ligand-based drug repurposing strategy identified SARS-CoV-2 RNA G-quadruplex binders

Chem Commun (Camb). 2022 Oct 25;58(85):11913-11916. doi: 10.1039/d2cc03135c.


The single-stranded RNA genome of SARS-CoV-2 contains some G-quadruplex-forming G-rich elements which are putative drug targets. Here, we performed a ligand-based pharmacophore virtual screening of FDA approved drugs to find candidates targeting such RNA structures. Further in silico and in vitro assays identified three drugs as emerging SARS-CoV-2 RNA G-quadruplex binders.

MeSH terms

  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacology
  • COVID-19 Drug Treatment*
  • Drug Repositioning*
  • G-Quadruplexes
  • Humans
  • Ligands
  • Molecular Docking Simulation
  • RNA, Viral / genetics
  • SARS-CoV-2


  • Antiviral Agents
  • Ligands
  • RNA, Viral