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, Federica; Marzano, Simona; D'Amico, Francesco; Lupia, Antonio; Di Fonzo, Silvia; Vertecchi, Eleonora; Salvati, Erica; Di Porzio, Anna; Catalanotti, Bruno; Randazzo, Antonio; Pagano, Bruno; Amato, Jussara. - 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 | |
|---|---|---|---|
|
MOraca_Ligand-based_2022.pdf
accesso aperto
Tipologia:
Versione editoriale (versione pubblicata con il layout dell'editore)
Licenza:
Creative commons
Dimensione
1.8 MB
Formato
Adobe PDF
|
1.8 MB | Adobe PDF |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
