Brazilian essential oils as source for the discovery of new anti-COVID-19 drug : a review guided by in silico study.

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dc.contributor.authorAmparo, Tatiane Roquete
dc.contributor.authorSeibert, Janaína Brandão
dc.contributor.authorSilveira, Benila Maria
dc.contributor.authorCosta, Fernanda Senna Ferreira
dc.contributor.authorAlmeida, Tamires Cunha
dc.contributor.authorBraga, Saulo Fehelberg Pinto
dc.contributor.authorSilva, Glenda Nicioli da
dc.contributor.authorSantos, Orlando David Henrique dos
dc.contributor.authorSouza, Gustavo Henrique Bianco de
dc.date.accessioned2021-09-14T14:50:02Z
dc.date.available2021-09-14T14:50:02Z
dc.date.issued2021pt_BR
dc.description.abstractThe emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in China and its spread worldwide has become one of the biggest health problem due to the lack of knowledge about an effective chemotherapy. Based on the current reality of the SARS-CoV-2 pandemic, this study aimed to make a review literature about potential anti-coronavirus natural compounds guided by an in silico study. In the first step, essential oils from native species found in the Brazilian herbal medicine market and Brazilian species that have already shown antiviral potential were used as source for the literature search and compounds selection. Among these compounds, 184 showed high antiviral potential against rhinovirus or picornavirus by quantitative structure–activity relationship analysis. (E)-a-atlantone; 14-hydroxy-amuurolene; allo-aromadendrene epoxide; amorpha4,9-dien-2-ol; aristochene; azulenol; germacrene A; guaia-6,9-diene; hedycaryol; humulene epoxide II; aamorphene; a-cadinene; a-calacorene and a-muurolene showed by a molecular docking study the best result for four target proteins that are essential for SARS-CoV-2 lifecycle. In addition, other parameters obtained for the selected compounds indicated low toxicity and showed good probability to achieve cell permeability and be used as a drug. These results guided the second literature search which included other species in addition to native Brazilian plants. The majority presence of any of these compounds was reported for essential oils from 45 species. In view of the few studies relating essential oils and antiviral activity, this review is important for future assays against the new coronavirus.pt_BR
dc.identifier.citationAMPARO, T. R. et al. Brazilian essential oils as source for the discovery of new anti-COVID-19 drug: a review guided by in silico study. Phytochemistry Reviews, v. 2021, abr. 2021. Disponível em: <https://link.springer.com/article/10.1007/s11101-021-09754-4>. Acesso em: 10 jun. 2021.pt_BR
dc.identifier.doihttps://doi.org/10.1007/s11101-021-09754-4pt_BR
dc.identifier.urihttp://www.repositorio.ufop.br/jspui/handle/123456789/13717
dc.identifier.uri2https://link.springer.com/article/10.1007/s11101-021-09754-4pt_BR
dc.language.isoen_USpt_BR
dc.rightsrestritopt_BR
dc.subjectCoronaviruspt_BR
dc.subjectTerpenept_BR
dc.titleBrazilian essential oils as source for the discovery of new anti-COVID-19 drug : a review guided by in silico study.pt_BR
dc.typeArtigo publicado em periodicopt_BR
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