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Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2
Open AccessArticle

Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs

Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy
*
Author to whom correspondence should be addressed.
These authors equally contributed to the work.
Viruses 2020, 12(4), 445; https://doi.org/10.3390/v12040445
Received: 26 February 2020 / Revised: 27 March 2020 / Accepted: 13 April 2020 / Published: 14 April 2020
(This article belongs to the Special Issue Pathogenesis of Human and Animal Coronaviruses)
A new Coronavirus strain, named SARS-CoV-2, suddenly emerged in early December 2019. SARS-CoV-2 resulted in being dramatically infectious, with thousands of people infected. In this scenario, and without effective vaccines available, the importance of an immediate tool to support patients and against viral diffusion becomes evident. In this study, we exploit the molecular docking approach to analyze the affinity between different viral proteins and several inhibitors, originally developed for other viral infections. Our data show that, in some cases, a relevant binding can be detected. These findings support the hypothesis to develop new antiviral agents against COVID-19, on the basis of already established therapies. View Full-Text
Keywords: COVID-19; SARS–CoV-2; coronavirus; viral protease; spike protein; antiviral drug; RNA-dependent RNA-polymerase; viral protein N; molecular modeling; molecular docking COVID-19; SARS–CoV-2; coronavirus; viral protease; spike protein; antiviral drug; RNA-dependent RNA-polymerase; viral protein N; molecular modeling; molecular docking
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Calligari, P.; Bobone, S.; Ricci, G.; Bocedi, A. Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs. Viruses 2020, 12, 445.

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