Anti-HCV, nucleotide inhibitors, repurposing against COVID-19
Identifieur interne : 000298 ( Main/Merge ); précédent : 000297; suivant : 000299Anti-HCV, nucleotide inhibitors, repurposing against COVID-19
Auteurs : Abdo A. ElfikySource :
- Life Sciences [ 0024-3205 ] ; 2020.
Descripteurs français
- KwdFr :
- AMP (), AMP (analogues et dérivés), AMP (métabolisme), Alanine (), Alanine (analogues et dérivés), Alanine (métabolisme), Alignement de séquences, Antiviraux (), Antiviraux (métabolisme), Biologie informatique (), Domaine catalytique, Guanosine monophosphate (), Guanosine monophosphate (analogues et dérivés), Guanosine monophosphate (métabolisme), Guanosine triphosphate (), Guanosine triphosphate (métabolisme), Humains, Infections à coronavirus (traitement médicamenteux), Infections à coronavirus (virologie), Liaison aux protéines, Motifs et domaines d'intéraction protéique, Pneumopathie virale (traitement médicamenteux), Pneumopathie virale (virologie), Protéines virales (), Protéines virales (antagonistes et inhibiteurs), Protéines virales (métabolisme), RNA replicase (), RNA replicase (antagonistes et inhibiteurs), RNA replicase (métabolisme), Repositionnement des médicaments (), Ribavirine (), Ribavirine (métabolisme), Similitude de séquences d'acides aminés, Simulation de docking moléculaire, Sofosbuvir (), Sofosbuvir (métabolisme), Structure en brin bêta, Structure en hélice alpha, Séquence d'acides aminés, Thermodynamique, Uridine triphosphate (), Uridine triphosphate (métabolisme).
- MESH :
- analogues et dérivés : AMP, Alanine, Guanosine monophosphate.
- antagonistes et inhibiteurs : Protéines virales, RNA replicase.
- métabolisme : AMP, Alanine, Antiviraux, Guanosine monophosphate, Guanosine triphosphate, Protéines virales, RNA replicase, Ribavirine, Sofosbuvir, Uridine triphosphate.
- traitement médicamenteux : Infections à coronavirus, Pneumopathie virale.
- virologie : Infections à coronavirus, Pneumopathie virale.
- AMP, Alanine, Alignement de séquences, Antiviraux, Biologie informatique, Domaine catalytique, Guanosine monophosphate, Guanosine triphosphate, Humains, Liaison aux protéines, Motifs et domaines d'intéraction protéique, Protéines virales, RNA replicase, Repositionnement des médicaments, Ribavirine, Similitude de séquences d'acides aminés, Simulation de docking moléculaire, Sofosbuvir, Structure en brin bêta, Structure en hélice alpha, Séquence d'acides aminés, Thermodynamique, Uridine triphosphate.
English descriptors
- KwdEn :
- Adenosine Monophosphate (analogs & derivatives), Adenosine Monophosphate (chemistry), Adenosine Monophosphate (metabolism), Alanine (analogs & derivatives), Alanine (chemistry), Alanine (metabolism), Alphacoronavirus (enzymology), Alphacoronavirus (genetics), Amino Acid Sequence, Antiviral Agents (chemistry), Antiviral Agents (metabolism), Betacoronavirus (enzymology), Betacoronavirus (genetics), Catalytic Domain, Computational Biology (methods), Coronavirus Infections (drug therapy), Coronavirus Infections (virology), Drug Repositioning (methods), Guanosine Monophosphate (analogs & derivatives), Guanosine Monophosphate (chemistry), Guanosine Monophosphate (metabolism), Guanosine Triphosphate (chemistry), Guanosine Triphosphate (metabolism), Humans, Molecular Docking Simulation, Pneumonia, Viral (drug therapy), Pneumonia, Viral (virology), Protein Binding, Protein Conformation, alpha-Helical, Protein Conformation, beta-Strand, Protein Interaction Domains and Motifs, RNA Replicase (antagonists & inhibitors), RNA Replicase (chemistry), RNA Replicase (metabolism), Ribavirin (chemistry), Ribavirin (metabolism), Sequence Alignment, Sequence Homology, Amino Acid, Sofosbuvir (chemistry), Sofosbuvir (metabolism), Thermodynamics, Uridine Triphosphate (chemistry), Uridine Triphosphate (metabolism), Viral Proteins (antagonists & inhibitors), Viral Proteins (chemistry), Viral Proteins (metabolism).
- MESH :
- chemical , analogs & derivatives : Adenosine Monophosphate, Alanine, Guanosine Monophosphate.
- chemical , antagonists & inhibitors : RNA Replicase, Viral Proteins.
- chemical , chemistry : Adenosine Monophosphate, Alanine, Antiviral Agents, Guanosine Monophosphate, Guanosine Triphosphate, RNA Replicase, Ribavirin, Sofosbuvir, Uridine Triphosphate, Viral Proteins.
- chemical , metabolism : Adenosine Monophosphate, Alanine, Antiviral Agents, Guanosine Monophosphate, Guanosine Triphosphate, RNA Replicase, Ribavirin, Sofosbuvir, Uridine Triphosphate, Viral Proteins.
- drug therapy : Coronavirus Infections, Pneumonia, Viral.
- enzymology : Alphacoronavirus, Betacoronavirus.
- genetics : Alphacoronavirus, Betacoronavirus.
- methods : Computational Biology, Drug Repositioning.
- virology : Coronavirus Infections, Pneumonia, Viral.
- Amino Acid Sequence, Catalytic Domain, Humans, Molecular Docking Simulation, Protein Binding, Protein Conformation, alpha-Helical, Protein Conformation, beta-Strand, Protein Interaction Domains and Motifs, Sequence Alignment, Sequence Homology, Amino Acid, Thermodynamics.
Abstract
A newly emerged Human Coronavirus (HCoV) is reported two months ago in Wuhan, China (COVID-19). Until today >2700 deaths from the 80,000 confirmed cases reported mainly in China and 40 other countries. Human to human transmission is confirmed for COVID-19 by China a month ago. Based on the World Health Organization (WHO) reports, SARS HCoV is responsible for >8000 cases with confirmed 774 deaths. Additionally, MERS HCoV is responsible for 858 deaths out of about 2500 reported cases. The current study aims to test anti-HCV drugs against COVID-19 RNA dependent RNA polymerase (RdRp).
In this study, sequence analysis, modeling, and docking are used to build a model for Wuhan COVID-19 RdRp. Additionally, the newly emerged Wuhan HCoV RdRp model is targeted by anti-polymerase drugs, including the approved drugs Sofosbuvir and Ribavirin.
The results suggest the effectiveness of Sofosbuvir, IDX-184, Ribavirin, and Remidisvir as potent drugs against the newly emerged HCoV disease.
The present study presents a perfect model for COVID-19 RdRp enabling its testing
Url:
DOI: 10.1016/j.lfs.2020.117477
PubMed: 32119961
PubMed Central: 7089605
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PMC:7089605Le document en format XML
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<term>Adenosine Monophosphate (chemistry)</term>
<term>Adenosine Monophosphate (metabolism)</term>
<term>Alanine (analogs & derivatives)</term>
<term>Alanine (chemistry)</term>
<term>Alanine (metabolism)</term>
<term>Alphacoronavirus (enzymology)</term>
<term>Alphacoronavirus (genetics)</term>
<term>Amino Acid Sequence</term>
<term>Antiviral Agents (chemistry)</term>
<term>Antiviral Agents (metabolism)</term>
<term>Betacoronavirus (enzymology)</term>
<term>Betacoronavirus (genetics)</term>
<term>Catalytic Domain</term>
<term>Computational Biology (methods)</term>
<term>Coronavirus Infections (drug therapy)</term>
<term>Coronavirus Infections (virology)</term>
<term>Drug Repositioning (methods)</term>
<term>Guanosine Monophosphate (analogs & derivatives)</term>
<term>Guanosine Monophosphate (chemistry)</term>
<term>Guanosine Monophosphate (metabolism)</term>
<term>Guanosine Triphosphate (chemistry)</term>
<term>Guanosine Triphosphate (metabolism)</term>
<term>Humans</term>
<term>Molecular Docking Simulation</term>
<term>Pneumonia, Viral (drug therapy)</term>
<term>Pneumonia, Viral (virology)</term>
<term>Protein Binding</term>
<term>Protein Conformation, alpha-Helical</term>
<term>Protein Conformation, beta-Strand</term>
<term>Protein Interaction Domains and Motifs</term>
<term>RNA Replicase (antagonists & inhibitors)</term>
<term>RNA Replicase (chemistry)</term>
<term>RNA Replicase (metabolism)</term>
<term>Ribavirin (chemistry)</term>
<term>Ribavirin (metabolism)</term>
<term>Sequence Alignment</term>
<term>Sequence Homology, Amino Acid</term>
<term>Sofosbuvir (chemistry)</term>
<term>Sofosbuvir (metabolism)</term>
<term>Thermodynamics</term>
<term>Uridine Triphosphate (chemistry)</term>
<term>Uridine Triphosphate (metabolism)</term>
<term>Viral Proteins (antagonists & inhibitors)</term>
<term>Viral Proteins (chemistry)</term>
<term>Viral Proteins (metabolism)</term>
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<term>Antiviraux (métabolisme)</term>
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<term>Guanosine triphosphate (métabolisme)</term>
<term>Humains</term>
<term>Infections à coronavirus (traitement médicamenteux)</term>
<term>Infections à coronavirus (virologie)</term>
<term>Liaison aux protéines</term>
<term>Motifs et domaines d'intéraction protéique</term>
<term>Pneumopathie virale (traitement médicamenteux)</term>
<term>Pneumopathie virale (virologie)</term>
<term>Protéines virales ()</term>
<term>Protéines virales (antagonistes et inhibiteurs)</term>
<term>Protéines virales (métabolisme)</term>
<term>RNA replicase ()</term>
<term>RNA replicase (antagonistes et inhibiteurs)</term>
<term>RNA replicase (métabolisme)</term>
<term>Repositionnement des médicaments ()</term>
<term>Ribavirine ()</term>
<term>Ribavirine (métabolisme)</term>
<term>Similitude de séquences d'acides aminés</term>
<term>Simulation de docking moléculaire</term>
<term>Sofosbuvir ()</term>
<term>Sofosbuvir (métabolisme)</term>
<term>Structure en brin bêta</term>
<term>Structure en hélice alpha</term>
<term>Séquence d'acides aminés</term>
<term>Thermodynamique</term>
<term>Uridine triphosphate ()</term>
<term>Uridine triphosphate (métabolisme)</term>
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<keywords scheme="MESH" type="chemical" qualifier="analogs & derivatives" xml:lang="en"><term>Adenosine Monophosphate</term>
<term>Alanine</term>
<term>Guanosine Monophosphate</term>
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<keywords scheme="MESH" type="chemical" qualifier="antagonists & inhibitors" xml:lang="en"><term>RNA Replicase</term>
<term>Viral Proteins</term>
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<keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Adenosine Monophosphate</term>
<term>Alanine</term>
<term>Antiviral Agents</term>
<term>Guanosine Monophosphate</term>
<term>Guanosine Triphosphate</term>
<term>RNA Replicase</term>
<term>Ribavirin</term>
<term>Sofosbuvir</term>
<term>Uridine Triphosphate</term>
<term>Viral Proteins</term>
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<keywords scheme="MESH" type="chemical" qualifier="metabolism" xml:lang="en"><term>Adenosine Monophosphate</term>
<term>Alanine</term>
<term>Antiviral Agents</term>
<term>Guanosine Monophosphate</term>
<term>Guanosine Triphosphate</term>
<term>RNA Replicase</term>
<term>Ribavirin</term>
<term>Sofosbuvir</term>
<term>Uridine Triphosphate</term>
<term>Viral Proteins</term>
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<keywords scheme="MESH" qualifier="analogues et dérivés" xml:lang="fr"><term>AMP</term>
<term>Alanine</term>
<term>Guanosine monophosphate</term>
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<keywords scheme="MESH" qualifier="antagonistes et inhibiteurs" xml:lang="fr"><term>Protéines virales</term>
<term>RNA replicase</term>
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<keywords scheme="MESH" qualifier="drug therapy" xml:lang="en"><term>Coronavirus Infections</term>
<term>Pneumonia, Viral</term>
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<keywords scheme="MESH" qualifier="enzymology" xml:lang="en"><term>Alphacoronavirus</term>
<term>Betacoronavirus</term>
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<keywords scheme="MESH" qualifier="genetics" xml:lang="en"><term>Alphacoronavirus</term>
<term>Betacoronavirus</term>
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<keywords scheme="MESH" qualifier="methods" xml:lang="en"><term>Computational Biology</term>
<term>Drug Repositioning</term>
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<keywords scheme="MESH" qualifier="métabolisme" xml:lang="fr"><term>AMP</term>
<term>Alanine</term>
<term>Antiviraux</term>
<term>Guanosine monophosphate</term>
<term>Guanosine triphosphate</term>
<term>Protéines virales</term>
<term>RNA replicase</term>
<term>Ribavirine</term>
<term>Sofosbuvir</term>
<term>Uridine triphosphate</term>
</keywords>
<keywords scheme="MESH" qualifier="traitement médicamenteux" xml:lang="fr"><term>Infections à coronavirus</term>
<term>Pneumopathie virale</term>
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<keywords scheme="MESH" qualifier="virologie" xml:lang="fr"><term>Infections à coronavirus</term>
<term>Pneumopathie virale</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>Amino Acid Sequence</term>
<term>Catalytic Domain</term>
<term>Humans</term>
<term>Molecular Docking Simulation</term>
<term>Protein Binding</term>
<term>Protein Conformation, alpha-Helical</term>
<term>Protein Conformation, beta-Strand</term>
<term>Protein Interaction Domains and Motifs</term>
<term>Sequence Alignment</term>
<term>Sequence Homology, Amino Acid</term>
<term>Thermodynamics</term>
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<keywords scheme="MESH" xml:lang="fr"><term>AMP</term>
<term>Alanine</term>
<term>Alignement de séquences</term>
<term>Antiviraux</term>
<term>Biologie informatique</term>
<term>Domaine catalytique</term>
<term>Guanosine monophosphate</term>
<term>Guanosine triphosphate</term>
<term>Humains</term>
<term>Liaison aux protéines</term>
<term>Motifs et domaines d'intéraction protéique</term>
<term>Protéines virales</term>
<term>RNA replicase</term>
<term>Repositionnement des médicaments</term>
<term>Ribavirine</term>
<term>Similitude de séquences d'acides aminés</term>
<term>Simulation de docking moléculaire</term>
<term>Sofosbuvir</term>
<term>Structure en brin bêta</term>
<term>Structure en hélice alpha</term>
<term>Séquence d'acides aminés</term>
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<front><div type="abstract" xml:lang="en"><sec><title>Aims</title>
<p>A newly emerged Human Coronavirus (HCoV) is reported two months ago in Wuhan, China (COVID-19). Until today >2700 deaths from the 80,000 confirmed cases reported mainly in China and 40 other countries. Human to human transmission is confirmed for COVID-19 by China a month ago. Based on the World Health Organization (WHO) reports, SARS HCoV is responsible for >8000 cases with confirmed 774 deaths. Additionally, MERS HCoV is responsible for 858 deaths out of about 2500 reported cases. The current study aims to test anti-HCV drugs against COVID-19 RNA dependent RNA polymerase (RdRp).</p>
</sec>
<sec><title>Materials and methods</title>
<p>In this study, sequence analysis, modeling, and docking are used to build a model for Wuhan COVID-19 RdRp. Additionally, the newly emerged Wuhan HCoV RdRp model is targeted by anti-polymerase drugs, including the approved drugs Sofosbuvir and Ribavirin.</p>
</sec>
<sec><title>Key findings</title>
<p>The results suggest the effectiveness of Sofosbuvir, IDX-184, Ribavirin, and Remidisvir as potent drugs against the newly emerged HCoV disease.</p>
</sec>
<sec><title>Significance</title>
<p>The present study presents a perfect model for COVID-19 RdRp enabling its testing <italic>in silico</italic>
against anti-polymerase drugs. Besides, the study presents some drugs that previously proved its efficiency against the newly emerged viral infection.</p>
</sec>
</div>
</front>
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