Ligand-based drug repurposing strategy identified SARS-CoV-2 RNA G-quadruplex binders.
Federica MoracaSimona MarzanoFrancesco D'AmicoAntonio LupiaSilvia Di FonzoEleonora VertecchiErica SalvatiAnna Di PorzioBruno CatalanottiAntonio RandazzoBruno PaganoJussara AmatoPublished in: Chemical communications (Cambridge, England) (2022)
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.