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Potential of plant extracts in targeting SARS-CoV-2 main protease: an in vitro and in silico study

2023Journal article Open access
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dc.contributor.authorAraujo, Ingrid Garcia de
dc.contributor.authorPattaro-Junior, Jose Renato
dc.contributor.authorBarbosa, Cecilia Gomes
dc.contributor.authorPhilippsen, Gisele Strieder
dc.contributor.authorSilva, Ana Rita
dc.contributor.authorIoshino, Rafaella Sayuri
dc.contributor.authorMoraes, Carolina Borsoi
dc.contributor.authorFreitas-Junior, Lucio Holanda
dc.contributor.authorBarros, Lillian
dc.contributor.authorPeralta, Rosane M.
dc.contributor.authorFernandez, Maria Aparecida
dc.contributor.authorSeixas, Flávio Augusto Vicente
dc.date.accessioned2018-04-09T14:32:21Z
dc.date.available2018-04-09T14:32:21Z
dc.date.issued2023
dc.description.abstractThe deaths caused by the covid-19 pandemic have recently decreased due to a worldwide effort in vaccination campaigns. However, even vaccinated people can develop a severe form of the disease that requires ICU admission. As a result, the search for antiviral drugs to treat these severe cases has become a necessity. In this context, natural products are an interesting alternative to synthetic medicines used in drug repositioning, as they have been consumed for a long time through traditional medicine. Many natural compounds found in plant extracts have already been shown to be effective in treating viral and bacterial diseases, making them possible hits to exploit against covid-19. The objective of this work was to evaluate the antiviral activity of different plant extracts available in the library of natural products of the Universidade Estadual de Maringa, by inhibiting the SARS-CoV-2 main protease (M-pro), and by preventing viral infection in a cellular model. As a result, the extract of Cytinus hypocistis, obtained by ultrasound, showed a M-pro inhibition capacity greater than 90%. In the infection model assays using Vero cells, an inhibition of 99.6% was observed, with a selectivity index of 42.7. The in silico molecular docking simulations using the extract compounds against M-pro, suggested Tellimagrandin II as the component of C. hypocistis extract most likely to inhibit the viral enzyme. These results demonstrate the potential of C. hypocistis extract as a promising source of natural compounds with antiviral activity against covid-19.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationAraujo, Ingrid Garcia de; Pattaro-Junior, Jose Renato; Barbosa, Cecilia Gomes; Philippsen, Gisele Strieder; Silva, Ana Rita; Ioshino, Rafaella Sayuri; Moraes, Carolina Borsoi; Freitas-Junior, Lucio Holanda; Barros, Lillian; Peralta, Rosane M.; Fernandez, Maria Aparecida; Seixas, Flávio Augusto Vicente. (2023). Potential of plant extracts in targeting SARS-CoV-2 main protease: an in vitro and in silico study. Journal of Biomolecular Structure & Dynamics. eISSN 1538-0254. p. 1-11
dc.identifier.doi10.1080/07391102.2023.2166589
dc.identifier.eissn1538-0254
dc.identifier.issn0739-1102
dc.identifier.urihttp://hdl.handle.net/10198/16804
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherTaylor & Francispt_PT
dc.subjectSARS-CoV-2pt_PT
dc.subjectCovid-19pt_PT
dc.subjectCytinus hypocistispt_PT
dc.subjectTanninspt_PT
dc.subjectTellimagrandin IIpt_PT
dc.titlePotential of plant extracts in targeting SARS-CoV-2 main protease: an in vitro and in silico studypt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.titleJournal of Biomolecular Structure & Dynamicspt_PT
person.familyNameSilva
person.familyNameBarros
person.givenNameAna Rita
person.givenNameLillian
person.identifierABD-5857-2020
person.identifier469085
person.identifier.ciencia-id0E1A-35C1-C79A
person.identifier.ciencia-id9616-35CB-D001
person.identifier.orcid0000-0001-5819-9065
person.identifier.orcid0000-0002-9050-5189
person.identifier.ridJ-3600-2013
person.identifier.scopus-author-id35236343600
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication4b329c1a-e6c5-4e48-aac5-b19a6b91a279
relation.isAuthorOfPublication3af07ffe-f914-48ba-a5d5-efcf70fdce01
relation.isAuthorOfPublication.latestForDiscovery4b329c1a-e6c5-4e48-aac5-b19a6b91a279

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