Ligand-based drug repurposing strategy identified SARS-CoV-2 RNA G-quadruplex binders
| Autor: | Federica Moraca, Simona Marzano, Francesco D'Amico, Antonio Lupia, Silvia Di Fonzo, Eleonora Vertecchi, Erica Salvati, Anna Di Porzio, Bruno Catalanotti, Antonio Randazzo, Bruno Pagano, Jussara Amato |
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| Přispěvatelé: | 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. |
| Rok vydání: | 2022 |
| Předmět: |
G-quadruplex
SARS-CoV-2 Drug Repositioning Metals and Alloys RNA G-quadruplex DNA General Chemistry Ligands Antiviral Agents Catalysis COVID-19 Drug Treatment Surfaces Coatings and Films Electronic Optical and Magnetic Materials Molecular Docking Simulation G-Quadruplexes Antiviral Agents COVID-19 Drug Repositioning Ligands Molecular Docking Simulation RNA SARS-CoV-2 Materials Chemistry Ceramics and Composites Humans RNA Viral |
| Zdroj: | Chemical Communications. 58:11913-11916 |
| ISSN: | 1364-548X 1359-7345 |
| DOI: | 10.1039/d2cc03135c |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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