Apr 10, 2020

Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

BioRxiv : the Preprint Server for Biology
C. HognonAntonio Monari

Abstract

Coronaviruses may produce severe acute respiratory syndrome (SARS). Indeed, a new SARS-type virus, SARS-CoV-2, is responsible of a global pandemic in 2020 with unprecedented sanitary and economic consequences for most countries. In the present contribution we study, by using all-atom equilibrium and enhanced sampling molecular dynamics simulations, the interaction between the SARS Unique Domain and RNA guanine quadruplexes, a process involved in eluding the defensive response of the host thus favoring viral infection of human cells. Results evidence two stable binding modes with guanine quadruplexes, driven either by electrostatic (dimeric mode) or dispersion (monomeric mode) interactions, are proposed being the dimeric mode the preferred one as observed by their corresponding free energy surfaces. The effect of these binding modes in stabilizing the protein dimer is also assessed, since they are related to its biological role in assisting SARS viruses to escape the host protective response. This work also constitutes a first step in the possible rational design of efficient therapeutic agents aiming at perturbing the interaction between SARS Unique Domain and guanine quadruplexes, hence enhancing the host defenses against the ...Continue Reading

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Mentioned in this Paper

Peptide Nucleic Acids
Phacelia glandulifera
Activated T Cell Autonomous Cell Death
Endosomes
Tracking
Multiple Acyl Coenzyme A Dehydrogenase Deficiency
RNA, Messenger
PNAS-2 protein, human
RNA
Cisterna Superioris

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