Protein-coding gene interaction network prediction of bioactive plant compound action against SARS-CoV-2: a novel hypothesis using bioinformatics analysis

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dc.creatorEliane Macedo Sobrinho Santos
dc.creatorAnna Christina de Almeida
dc.creatorHércules Otacilio Santos
dc.creatorErnane Ronie Martins
dc.creatorFrancine Souza Alves da Fonseca
dc.creatorLucyana Conceição Farias
dc.creatorCharles Martins Aguilar
dc.creatorUlisses Alves Pereira
dc.creatorNilson Nicolau Junior
dc.creatorMatheus de Souza Gomes
dc.creatorCintya Neves de Souza
dc.creatorJoão Matheus de Almeida Ravnjak
dc.creatorRaphael Rodrigues Porto
dc.date.accessioned2023-10-25T11:31:41Z
dc.date.accessioned2025-09-09T00:20:43Z
dc.date.available2023-10-25T11:31:41Z
dc.date.issued2022
dc.identifier.doihttps://doi.org/10.1590/0001-3765202220201380
dc.identifier.issn1678-2690
dc.identifier.urihttps://hdl.handle.net/1843/59998
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofAnais da Academia Brasileira de Ciências
dc.rightsAcesso Aberto
dc.subjectGenética
dc.subjectPlantas dos cerrados
dc.subjectCoronavirus
dc.subjectCOVID-19 (Doença)
dc.subjectPlantas medicinais
dc.titleProtein-coding gene interaction network prediction of bioactive plant compound action against SARS-CoV-2: a novel hypothesis using bioinformatics analysis
dc.typeArtigo de periódico
local.citation.epage23
local.citation.issueSuppl 3
local.citation.spage1
local.citation.volume94
local.description.resumoThis study aimed to verify the action of bioactive compounds from Brazilian plants on the leader genes involved in the SARS-CoV-2 pathway. The main human genes involved were identified in GeneCards and UNIPROT platforms, and an interaction network between leader genes was established in the STRING database. To design chemo-biology interactome networks and elucidate the interplay between genes related to the disease and bioactive plant compounds, the metasearch engine STITCH 3.1 was used. The analysis revealed that SMAD3 and CASP3 genes are leader genes, suggesting that the mechanism of action of the virus on host cells is associated with the molecular effects of these genes. Furthermore, the bioactive plant compounds, such as ascorbate, benzoquinone, ellagic acid, and resveratrol was identified as a promising adjuvant for the treatment inhibiting CASP3-mediated apoptosis. Bioactive plant compounds were verified as the main pathways enriched with KEGG and related to viral infection, assessments/immune/infections, and cell proliferation, which are potentially used for respiratory viral infections. The best-ranked molecule docked in the CASP3 binding site was rutin, while the SMAD3 binding site was resveratrol. In conclusion, this work identified several bioactive compounds from Brazilian plants showing potential antiviral functions that can directly or indirectly inhibit the new coronavirus.
local.identifier.orcidhttps://orcid.org/0000-0002-1576-4957
local.identifier.orcidhttps://orcid.org/0000-0001-9836-4117
local.identifier.orcidhttps://orcid.org/0000-0001-5399-9522
local.identifier.orcidhttps://orcid.org/0000-0001-6139-7206
local.identifier.orcidhttps://orcid.org/0000-0002-5815-4550
local.identifier.orcidhttps://orcid.org/0000-0002-5451-140X
local.identifier.orcidhttps://orcid.org/0000-0002-7180-049X
local.identifier.orcidhttps://orcid.org/0000-0001-9010-8442
local.identifier.orcidhttps://orcid.org/0000-0002-7148-5813
local.identifier.orcidhttps://orcid.org/0000-0001-7352-3089
local.identifier.orcidhttps://orcid.org/0000-0002-3640-8636
local.identifier.orcidhttps://orcid.org/0000-0001-5308-682X
local.identifier.orcidhttps://orcid.org/0000-0003-1603-9615
local.publisher.countryBrasil
local.publisher.departmentICA - INSTITUTO DE CIÊNCIAS AGRÁRIAS
local.publisher.initialsUFMG

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