Molecular Investigation of SARS-CoV-2 Proteins and Their Interactions with Antiviral Drugs.
Identifieur interne : 000103 ( PubMed/Corpus ); précédent : 000102; suivant : 000104Molecular Investigation of SARS-CoV-2 Proteins and Their Interactions with Antiviral Drugs.
Auteurs : Paolo Calligari ; Sara Bobone ; Giorgio Ricci ; Alessio BocediSource :
- Viruses [ 1999-4915 ] ; 2020.
English descriptors
- KwdEn :
- MESH :
- chemical , metabolism : Viral Proteins.
- chemical , therapeutic use : Antiviral Agents.
- drug therapy : Coronavirus Infections, Pneumonia, Viral.
- physiology : Betacoronavirus.
- virology : Coronavirus Infections, Pneumonia, Viral.
- Drug Development, Humans, Molecular Docking Simulation, Pandemics.
Abstract
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.
DOI: 10.3390/v12040445
PubMed: 32295237
Links to Exploration step
pubmed:32295237Le document en format XML
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<author><name sortKey="Calligari, Paolo" sort="Calligari, Paolo" uniqKey="Calligari P" first="Paolo" last="Calligari">Paolo Calligari</name>
<affiliation><nlm:affiliation>Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.</nlm:affiliation>
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<author><name sortKey="Bobone, Sara" sort="Bobone, Sara" uniqKey="Bobone S" first="Sara" last="Bobone">Sara Bobone</name>
<affiliation><nlm:affiliation>Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.</nlm:affiliation>
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<author><name sortKey="Ricci, Giorgio" sort="Ricci, Giorgio" uniqKey="Ricci G" first="Giorgio" last="Ricci">Giorgio Ricci</name>
<affiliation><nlm:affiliation>Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.</nlm:affiliation>
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<author><name sortKey="Bocedi, Alessio" sort="Bocedi, Alessio" uniqKey="Bocedi A" first="Alessio" last="Bocedi">Alessio Bocedi</name>
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<author><name sortKey="Bobone, Sara" sort="Bobone, Sara" uniqKey="Bobone S" first="Sara" last="Bobone">Sara Bobone</name>
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<author><name sortKey="Ricci, Giorgio" sort="Ricci, Giorgio" uniqKey="Ricci G" first="Giorgio" last="Ricci">Giorgio Ricci</name>
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<series><title level="j">Viruses</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antiviral Agents (therapeutic use)</term>
<term>Betacoronavirus (physiology)</term>
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<term>Coronavirus Infections (virology)</term>
<term>Drug Development</term>
<term>Humans</term>
<term>Molecular Docking Simulation</term>
<term>Pandemics</term>
<term>Pneumonia, Viral (drug therapy)</term>
<term>Pneumonia, Viral (virology)</term>
<term>Viral Proteins (metabolism)</term>
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<keywords scheme="MESH" qualifier="virology" xml:lang="en"><term>Coronavirus Infections</term>
<term>Pneumonia, Viral</term>
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<keywords scheme="MESH" xml:lang="en"><term>Drug Development</term>
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<front><div type="abstract" xml:lang="en">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.</div>
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<Abstract><AbstractText>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.</AbstractText>
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