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Chem Commun (Camb) ; 58(85): 11913-11916, 2022 Oct 25.
Article in English | MEDLINE | ID: covidwho-2050566

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.


Subject(s)
COVID-19 , Drug Repositioning , Humans , Antiviral Agents/pharmacology , Antiviral Agents/chemistry , COVID-19/drug therapy , Ligands , Molecular Docking Simulation , RNA, Viral/genetics , SARS-CoV-2 , G-Quadruplexes
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