Ligand-based drug repurposing strategy identified SARS-CoV-2 RNA G-quadruplex binders
CHEMICAL COMMUNICATIONS(2022)
Abstract
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.
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Key words
sars-cov-2 sars-cov-2,rna,drug repurposing strategy,ligand-based,g-quadruplex
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