Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic s...
Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites
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Publisher
Public Library of Science (PLoS)
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Language
English
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Publisher
Public Library of Science (PLoS)
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Scope and Contents
Contents
The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is one of the optimum targets for antiviral drug design and development. The hydroxyl groups of cytidine structures were modified with different aliphatic and aromatic groups to obtain 5´-O-acyl and 2´,3´-di-O-acyl derivatives, and then, these derivatives were employed in molecular modeling, ant...
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Full title
Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites
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TN_cdi_doaj_primary_oai_doaj_org_article_cbac18912454475bb15476cf368c2012
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_cbac18912454475bb15476cf368c2012
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E-ISSN
1932-6203
DOI
10.1371/journal.pone.0273256
