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.
Ligand-based drug repurposing strategy identified SARS-CoV-2 RNA G-quadruplex binders / Moraca, F., Marzano, S., D'Amico, F., Lupia, A., Di Fonzo, S., Vertecchi, E., Salvati, E., Di Porzio, A., Catalanotti, B., Randazzo, A., Pagano, B., Amato, J.. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - 58:85(2022), pp. 11913-11916. [10.1039/D2CC03135C]
Ligand-based drug repurposing strategy identified SARS-CoV-2 RNA G-quadruplex binders
Eleonora Vertecchi;
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.| File | Dimensione | Formato | |
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