Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses | Zendy

Tom Miclot | Zendy; Cécilia Hog | Zendy; Emmanuelle Big | Zendy; Alessio Terenzi | Zendy; Marco Marazzi | Zendy; Giampaolo Barone | Zendy; Antonio Monari | Zendy

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Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses

Author(s) -

Tom Miclot,

Cécilia Hog,

Emmanuelle Big,

Alessio Terenzi,

Marco Marazzi,

Giampaolo Barone,

Antonio Monari

Publication year - 2021

Publication title -

the journal of physical chemistry letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 2.563

H-Index - 203

ISSN - 1948-7185

DOI - 10.1021/acs.jpclett.1c03071

Subject(s) - guanine , rna , g quadruplex , genome , dna , circular dichroism , nucleic acid structure , computational biology , translation (biology) , biology , virology , chemistry , genetics , crystallography , gene , nucleotide , messenger rna

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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