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

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 agains...

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Main Authors:	Paolo Calligari, Sara Bobone, Giorgio Ricci, Alessio Bocedi
Format:	Article
Language:	English
Published:	MDPI AG 2020-04-01
Series:	Viruses
Subjects:	COVID-19 SARS–CoV-2 coronavirus viral protease spike protein antiviral drug
Online Access:	https://www.mdpi.com/1999-4915/12/4/445

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spelling	doaj-2844cc09047541cdaa47c98a4b8b91c62020-11-25T02:04:12ZengMDPI AGViruses1999-49152020-04-011244544510.3390/v12040445Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral DrugsPaolo Calligari0Sara Bobone1Giorgio Ricci2Alessio Bocedi3Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, ItalyDepartment of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, ItalyDepartment of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, ItalyDepartment of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, ItalyA 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.https://www.mdpi.com/1999-4915/12/4/445COVID-19SARS–CoV-2coronavirusviral proteasespike proteinantiviral drug
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Paolo Calligari Sara Bobone Giorgio Ricci Alessio Bocedi
spellingShingle	Paolo Calligari Sara Bobone Giorgio Ricci Alessio Bocedi Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs Viruses COVID-19 SARS–CoV-2 coronavirus viral protease spike protein antiviral drug
author_facet	Paolo Calligari Sara Bobone Giorgio Ricci Alessio Bocedi
author_sort	Paolo Calligari
title	Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs
title_short	Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs
title_full	Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs
title_fullStr	Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs
title_full_unstemmed	Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs
title_sort	molecular investigation of sars–cov-2 proteins and their interactions with antiviral drugs
publisher	MDPI AG
series	Viruses
issn	1999-4915
publishDate	2020-04-01
description	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.
topic	COVID-19 SARS–CoV-2 coronavirus viral protease spike protein antiviral drug
url	https://www.mdpi.com/1999-4915/12/4/445
work_keys_str_mv	AT paolocalligari molecularinvestigationofsarscov2proteinsandtheirinteractionswithantiviraldrugs AT sarabobone molecularinvestigationofsarscov2proteinsandtheirinteractionswithantiviraldrugs AT giorgioricci molecularinvestigationofsarscov2proteinsandtheirinteractionswithantiviraldrugs AT alessiobocedi molecularinvestigationofsarscov2proteinsandtheirinteractionswithantiviraldrugs
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Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs

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