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Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses.
Miclot, Tom; Hognon, Cécilia; Bignon, Emmanuelle; Terenzi, Alessio; Marazzi, Marco; Barone, Giampaolo; Monari, Antonio.
  • Miclot T; Department of Biological, Chemical and Pharmaceutical Sciences, University of Palermo, via delle Scienze, 90126 Palermo, Italy.
  • Hognon C; Université de Lorraine and CNRS, UMR 7019 LPCT, F-54000 Nancy, France.
  • Bignon E; Université de Lorraine and CNRS, UMR 7019 LPCT, F-54000 Nancy, France.
  • Terenzi A; Université de Lorraine and CNRS, UMR 7019 LPCT, F-54000 Nancy, France.
  • Marazzi M; Department of Biological, Chemical and Pharmaceutical Sciences, University of Palermo, via delle Scienze, 90126 Palermo, Italy.
  • Barone G; Departamento de Química Analítica, Química Física e Ingeniería Química, Universidad de Alcalá, Ctra. Madrid-Barcelona Km. 33,600 E-28805, Alcalá de Henares (Madrid), Spain.
  • Monari A; Instituto de Investigación Química "Andrés M. del Río" (IQAR), Universidad de Alcalá, Ctra. Madrid-Barcelona Km. 33,600 E-28871, Alcalá de Henares (Madrid), Spain.
J Phys Chem Lett ; 12(42): 10277-10283, 2021 Oct 28.
Article in English | MEDLINE | ID: covidwho-1469948
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ABSTRACT
Guanine quadruplex (G4) structures in the viral genome have a key role in modulating viruses' biological activity. While several DNA G4 structures have been experimentally resolved, RNA G4s are definitely less explored. We report the first calculated G4 structure of the RG-1 RNA sequence of SARS-CoV-2 genome, obtained by using a multiscale approach combining quantum and classical molecular modeling and corroborated by the excellent agreement between the corresponding calculated and experimental circular dichroism spectra. We prove the stability of the RG-1 G4 arrangement as well as its interaction with G4 ligands potentially inhibiting viral protein translation.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: RNA, Viral / Genome, Viral / G-Quadruplexes / SARS-CoV-2 / COVID-19 Limits: Humans Language: English Journal: J Phys Chem Lett Year: 2021 Document Type: Article Affiliation country: Acs.jpclett.1c03071

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Full text: Available Collection: International databases Database: MEDLINE Main subject: RNA, Viral / Genome, Viral / G-Quadruplexes / SARS-CoV-2 / COVID-19 Limits: Humans Language: English Journal: J Phys Chem Lett Year: 2021 Document Type: Article Affiliation country: Acs.jpclett.1c03071