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http://conacyt.repositorioinstitucional.mx/jspui/handle/1000/8018| Resolving a Guanine-Quadruplex Structure in the SARS-CoV-2 Genome through Circular Dichroism and Multiscale Molecular Modeling | |
| Luisa D'Anna Tom Miclot Emmanuelle Bignon Ugo Perricone Giampaolo Barone Antonio Monari Alessio Terenzi | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| https://doi.org/10.1101/2023.04.13.536758 | |
| https://www.biorxiv.org/content/10.1101/2023.04.13.536758v2 | |
| The genome of SARS-CoV-2 coronavirus is made up of a single-stranded RNA fragment that can assume a specific second-ary structure, whose stability can influence the virus ability to reproduce. Recent studies have identified putative guanine quadruplex sequences in SARS-CoV-2 genome fragments that are involved in coding for both structural and non-structural proteins. In this contribution, we focus on a specific G-rich sequence referred as RG-2, which codes for the non-structural protein 10 (Nsp10) and assumes a parallel guanine-quadruplex (G4) arrangement. We provide the secondary structure of the RG-2 G4 at atomistic resolution by molecular modeling and simulation, validated by the superposition of experimental and calculated electronic circular dichroism spectrum. Through both experimental and simulation approaches, we have demon-strated that pyridostatin (PDS), a widely recognized G4 binder, can bind to and stabilize RG-2 G4 more strongly than RG-1, another G4 forming sequence that was previously proposed as a potential target for antiviral drug candidates. Overall, this study highlights RG-2 as a valuable target to inhibit the translation and replication of SARS-CoV-2 paving the way towards original therapeutic approaches against emerging RNA viruses. | |
| bioRxiv | |
| 15-04-2023 | |
| Preimpreso | |
| https://www.biorxiv.org | |
| Inglés | |
| Epidemia COVID-19 | |
| Público en general | |
| VIRUS RESPIRATORIOS | |
| Versión publicada | |
| publishedVersion - Versión publicada | |
| Aparece en las colecciones: | Materiales de Consulta y Comunicados Técnicos |
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| Fichero | Tamaño | Formato | |
|---|---|---|---|
| Resolving a Guanine_Quadruplex.pdf | 4.49 MB | Adobe PDF | Visualizar/Abrir |