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
Moraca F.;Marzano S.;Lupia A.;Di Porzio A.;Catalanotti B.;Randazzo A.;Pagano B.
;Amato J.
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
