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Deprecated: Implicit conversion from float 247.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 J+Phys+Chem+Lett 2021 ; 12 (42): 10277-10283 Nephropedia Template TP
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Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome Original Strategies against Emerging Viruses #MMPMID34652910
Miclot T; Hognon C; Bignon E; Terenzi A; Marazzi M; Barone G; Monari A
J Phys Chem Lett 2021[Oct]; 12 (42): 10277-10283 PMID34652910show ga
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.