Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
Identifieur interne : 000096 ( Pmc/Checkpoint ); précédent : 000095; suivant : 000097Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
Auteurs : Abdo A. ElfikySource :
- Life Sciences [ 0024-3205 ] ; 2020.
Abstract
A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19. The spread of SARS-CoV-2 has been faster than any other coronaviruses that have succeeded in crossing the animal-human barrier. There is concern that this new virus will spread around the world as did the previous two HCoVs—Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS)—each of which caused approximately 800 deaths in the years 2002 and 2012, respectively. Thus far, 11,268 deaths have been reported from the 258,842 confirmed infections in 168 countries.
In this study, the RNA-dependent RNA polymerase (RdRp) of the newly emerged coronavirus is modeled, validated, and then targeted using different anti-polymerase drugs currently on the market that have been approved for use against various viruses.
The results suggest the effectiveness of Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir as potent drugs against SARS-CoV-2 since they tightly bind to its RdRp. In addition, the results suggest guanosine derivative (IDX-184), Setrobuvir, and YAK as top seeds for antiviral treatments with high potential to fight the SARS-CoV-2 strain specifically.
The availability of FDA-approved anti-RdRp drugs can help treat patients and reduce the danger of the mysterious new viral infection COVID-19. The drugs mentioned above can tightly bind to the RdRp of the SARS-CoV-2 strain and thus may be used to treat the disease. No toxicity measurements are required for these drugs since they were previously tested prior to their approval by the FDA.
Url:
DOI: 10.1016/j.lfs.2020.117592
PubMed: 32222463
PubMed Central: 7102646
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study</title><author><name sortKey="Elfiky, Abdo A" sort="Elfiky, Abdo A" uniqKey="Elfiky A" first="Abdo A." last="Elfiky">Abdo A. Elfiky</name></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">32222463</idno><idno type="pmc">7102646</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7102646</idno><idno type="RBID">PMC:7102646</idno><idno type="doi">10.1016/j.lfs.2020.117592</idno><date when="2020">2020</date><idno type="wicri:Area/Pmc/Corpus">001265</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">001265</idno><idno type="wicri:Area/Pmc/Curation">001265</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">001265</idno><idno type="wicri:Area/Pmc/Checkpoint">000096</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">000096</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study</title><author><name sortKey="Elfiky, Abdo A" sort="Elfiky, Abdo A" uniqKey="Elfiky A" first="Abdo A." last="Elfiky">Abdo A. Elfiky</name></author></analytic><series><title level="j">Life Sciences</title><idno type="ISSN">0024-3205</idno><idno type="eISSN">1879-0631</idno><imprint><date when="2020">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><sec><title>Aims</title><p>A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19. The spread of SARS-CoV-2 has been faster than any other coronaviruses that have succeeded in crossing the animal-human barrier. There is concern that this new virus will spread around the world as did the previous two HCoVs—Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS)—each of which caused approximately 800 deaths in the years 2002 and 2012, respectively. Thus far, 11,268 deaths have been reported from the 258,842 confirmed infections in 168 countries.</p></sec><sec><title>Main methods</title><p>In this study, the RNA-dependent RNA polymerase (RdRp) of the newly emerged coronavirus is modeled, validated, and then targeted using different anti-polymerase drugs currently on the market that have been approved for use against various viruses.</p></sec><sec><title>Key findings</title><p>The results suggest the effectiveness of Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir as potent drugs against SARS-CoV-2 since they tightly bind to its RdRp. In addition, the results suggest guanosine derivative (IDX-184), Setrobuvir, and YAK as top seeds for antiviral treatments with high potential to fight the SARS-CoV-2 strain specifically.</p></sec><sec><title>Significance</title><p>The availability of FDA-approved anti-RdRp drugs can help treat patients and reduce the danger of the mysterious new viral infection COVID-19. The drugs mentioned above can tightly bind to the RdRp of the SARS-CoV-2 strain and thus may be used to treat the disease. No toxicity measurements are required for these drugs since they were previously tested prior to their approval by the FDA.</p></sec></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Bogoch, I I" uniqKey="Bogoch I">I.I. Bogoch</name></author><author><name sortKey="Watts, A" uniqKey="Watts A">A. Watts</name></author><author><name sortKey="Thomas Bachli, A" uniqKey="Thomas Bachli A">A. Thomas-Bachli</name></author><author><name sortKey="Huber, C" uniqKey="Huber C">C. Huber</name></author><author><name sortKey="Kraemer, M U G" uniqKey="Kraemer M">M.U.G. Kraemer</name></author><author><name sortKey="Khan, K" uniqKey="Khan K">K. Khan</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Hui, D S" uniqKey="Hui D">D.S. 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<front><journal-meta><journal-id journal-id-type="nlm-ta">Life Sci</journal-id><journal-id journal-id-type="iso-abbrev">Life Sci</journal-id><journal-title-group><journal-title>Life Sciences</journal-title></journal-title-group><issn pub-type="ppub">0024-3205</issn><issn pub-type="epub">1879-0631</issn><publisher><publisher-name>Elsevier Inc.</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">32222463</article-id><article-id pub-id-type="pmc">7102646</article-id><article-id pub-id-type="publisher-id">S0024-3205(20)30340-4</article-id><article-id pub-id-type="doi">10.1016/j.lfs.2020.117592</article-id><article-id pub-id-type="publisher-id">117592</article-id><article-categories><subj-group subj-group-type="heading"><subject>Article</subject></subj-group></article-categories><title-group><article-title>Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study</article-title></title-group><contrib-group><contrib contrib-type="author" id="au0005"><name><surname>Elfiky</surname><given-names>Abdo A.</given-names></name><email>abdo@sci.cu.edu.eg</email><email>aelfiky@ictp.it</email></contrib></contrib-group><aff id="af0005">Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt</aff><pub-date pub-type="pmc-release"><day>25</day><month>3</month><year>2020</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on .</pmc-comment>
<pub-date pub-type="epub"><day>25</day><month>3</month><year>2020</year></pub-date><elocation-id>117592</elocation-id><history><date date-type="received"><day>7</day><month>2</month><year>2020</year></date><date date-type="rev-recd"><day>20</day><month>3</month><year>2020</year></date><date date-type="accepted"><day>23</day><month>3</month><year>2020</year></date></history><permissions><copyright-statement>© 2020 Elsevier Inc. All rights reserved.</copyright-statement><copyright-year>2020</copyright-year><copyright-holder></copyright-holder><license><license-p>Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.</license-p></license></permissions><abstract id="ab0005"><sec><title>Aims</title><p>A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19. The spread of SARS-CoV-2 has been faster than any other coronaviruses that have succeeded in crossing the animal-human barrier. There is concern that this new virus will spread around the world as did the previous two HCoVs—Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS)—each of which caused approximately 800 deaths in the years 2002 and 2012, respectively. Thus far, 11,268 deaths have been reported from the 258,842 confirmed infections in 168 countries.</p></sec><sec><title>Main methods</title><p>In this study, the RNA-dependent RNA polymerase (RdRp) of the newly emerged coronavirus is modeled, validated, and then targeted using different anti-polymerase drugs currently on the market that have been approved for use against various viruses.</p></sec><sec><title>Key findings</title><p>The results suggest the effectiveness of Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir as potent drugs against SARS-CoV-2 since they tightly bind to its RdRp. In addition, the results suggest guanosine derivative (IDX-184), Setrobuvir, and YAK as top seeds for antiviral treatments with high potential to fight the SARS-CoV-2 strain specifically.</p></sec><sec><title>Significance</title><p>The availability of FDA-approved anti-RdRp drugs can help treat patients and reduce the danger of the mysterious new viral infection COVID-19. The drugs mentioned above can tightly bind to the RdRp of the SARS-CoV-2 strain and thus may be used to treat the disease. No toxicity measurements are required for these drugs since they were previously tested prior to their approval by the FDA.</p></sec></abstract><abstract abstract-type="graphical" id="ab0010"><title>Graphical abstract</title><p><fig id="f0020" position="anchor"><alt-text id="al0020">Unlabelled Image</alt-text><graphic xlink:href="ga1_lrg"></graphic></fig></p></abstract><abstract abstract-type="author-highlights" id="ab0015"><title>Highlights</title><p><list list-type="simple" id="l0005"><list-item id="li0005"><label>•</label><p id="p0005">SARS-CoV-2 RdRp shares 97% sequence identity to SARS.</p></list-item><list-item id="li0010"><label>•</label><p id="p0010">SARS-CoV-2 RdRp model is built to study different inhibitors.</p></list-item><list-item id="li0015"><label>•</label><p id="p0015">Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir can bind tightly the RdRp of SARS-CoV-2.</p></list-item><list-item id="li0020"><label>•</label><p id="p0020">Setrobuvir, YAK, and IDX-184 can be used as potent compounds against SARS-CoV-2 RdRp.</p></list-item></list></p></abstract><kwd-group id="ks0005"><title>Keywords</title><kwd>COVID-19</kwd><kwd>SARS-CoV-2</kwd><kwd>RdRp</kwd><kwd>Molecular docking</kwd><kwd>Structural bioinformatics</kwd><kwd>Drug repurposing</kwd></kwd-group></article-meta></front></pmc><affiliations><list></list><tree><noCountry><name sortKey="Elfiky, Abdo A" sort="Elfiky, Abdo A" uniqKey="Elfiky A" first="Abdo A." last="Elfiky">Abdo A. Elfiky</name></noCountry></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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|texte= Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
}}
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