Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon

Chemical composition of the essential oils (EOs) from the leaves of five Annonaceae species found in the amazon region was analyzed by Gas chromatography coupled to mass spectrometry. The antifungal activity of theses EOs was tested against Candida albicans, Candida auris, Candida famata, Candida kr...

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Autores: Cascaes, Márcia Moraes, Silva, Silvia Helena Marques da, Oliveira, Mozaniel Santana de, Cruz, Jorddy Neves, Moraes, Ângeloa Antônio Barbosa de, Nascimento, Lidiane Diniz do, Ferreira, Oberdan Oliveira, Guilhon, Giselle Maria Skelding Pinheiro, Andrade, Eloisa Helena de Aguiar
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:Brasil
Institución:Instituto Evandro Chagas (IEC)
Repositorio:Repositório Digital do Instituto Evandro Chagas (Patuá)
Idioma:inglés
OAI Identifier:oai:patua.iec.gov.br:iec/6927
Acceso en línea:https://patua.iec.gov.br/handle/iec/6927
Access Level:acceso abierto
Palabra clave:Annonaceae / química
Óleos Voláteis / análise
Óleos Voláteis / síntese química
Óleos Voláteis / uso terapêutico
Candidíase / patologia
Antifúngicos / uso terapêutico
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dc.title.pt_BR.fl_str_mv Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
title Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
spellingShingle Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
Cascaes, Márcia Moraes
Annonaceae / química
Óleos Voláteis / análise
Óleos Voláteis / síntese química
Óleos Voláteis / uso terapêutico
Candidíase / patologia
Antifúngicos / uso terapêutico
title_short Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
title_full Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
title_fullStr Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
title_full_unstemmed Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
title_sort Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon
dc.creator.none.fl_str_mv Cascaes, Márcia Moraes
Silva, Silvia Helena Marques da
Oliveira, Mozaniel Santana de
Cruz, Jorddy Neves
Moraes, Ângeloa Antônio Barbosa de
Nascimento, Lidiane Diniz do
Ferreira, Oberdan Oliveira
Guilhon, Giselle Maria Skelding Pinheiro
Andrade, Eloisa Helena de Aguiar
author Cascaes, Márcia Moraes
author_facet Cascaes, Márcia Moraes
Silva, Silvia Helena Marques da
Oliveira, Mozaniel Santana de
Cruz, Jorddy Neves
Moraes, Ângeloa Antônio Barbosa de
Nascimento, Lidiane Diniz do
Ferreira, Oberdan Oliveira
Guilhon, Giselle Maria Skelding Pinheiro
Andrade, Eloisa Helena de Aguiar
author_role author
author2 Silva, Silvia Helena Marques da
Oliveira, Mozaniel Santana de
Cruz, Jorddy Neves
Moraes, Ângeloa Antônio Barbosa de
Nascimento, Lidiane Diniz do
Ferreira, Oberdan Oliveira
Guilhon, Giselle Maria Skelding Pinheiro
Andrade, Eloisa Helena de Aguiar
author2_role author
author
author
author
author
author
author
author
dc.subject.decsPrimary.pt_BR.fl_str_mv Annonaceae / química
Óleos Voláteis / análise
Óleos Voláteis / síntese química
Óleos Voláteis / uso terapêutico
Candidíase / patologia
Antifúngicos / uso terapêutico
topic Annonaceae / química
Óleos Voláteis / análise
Óleos Voláteis / síntese química
Óleos Voláteis / uso terapêutico
Candidíase / patologia
Antifúngicos / uso terapêutico
description Chemical composition of the essential oils (EOs) from the leaves of five Annonaceae species found in the amazon region was analyzed by Gas chromatography coupled to mass spectrometry. The antifungal activity of theses EOs was tested against Candida albicans, Candida auris, Candida famata, Candida krusei and Candida tropicalis. In addition, an in silico study of the molecular interactions was performed using molecular modeling approaches. Spathulenol (29.88%), α-pinene (15.73%), germacra-4(15),5,10(14)-trien-1-α-ol (6.65%), and caryophylene oxide (6.28%) where the major constitents from the EO of Anaxagorea dolichocarpa. The EO of Duguetia echinophora was characterized by β-phellanderene (24.55%), cryptone (12.43%), spathulenol (12.30%), and sabinene (7.54%). The major compounds of the EO of Guatteria scandens where β-pinene (46.71%), α-pinene (9.14%), bicyclogermacrene (9.33%), and E-caryophyllene (8.98%). The EO of Xylopia frutescens was characterized by α-pinene (40.12%) and β-pinene (36.46%). Spathulenol (13.8%), allo-aromadendrene epoxide (8.99%), thujopsan-2-α-ol (7.74%), and muurola-4,10(14)-dien-1-β-ol (7.14%) were the main chemical constituents reported in Xylopia emarginata EO. All EOs were active against the strains tested and the lowest inhibitory concentrations were observed for the EOs of D. echinophora, X. emarginata, and X. frutescens against C. famata the Minimum Inhibitory Concentration values of 0.07, 0.019 and 0.62 μL.mL-1, respectively. The fungicidal action was based on results of minimum fungicidal concentration and showed that the EOs showed fungicide activity against C. tropicalis (2.5 μL.mL-1), C. krusei (2.5 μL.mL-1) and C. auris (5 μL.mL-1), respectively. The computer simulation results indicated that the major compounds of the EOs can interact with molecular targets of Candida spp.
publishDate 2023
dc.date.accessioned.fl_str_mv 2023-09-05T12:45:52Z
dc.date.available.fl_str_mv 2023-09-05T12:45:52Z
dc.date.issued.fl_str_mv 2023
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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status_str publishedVersion
dc.identifier.citation.fl_str_mv CASCAES, Márcia Moraes et al. Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon. PLoS ONE, v. 18, n. 8, p. 1-16, 2023. DOI: https://doi.org/10.1371/journal.pone.0289991. Disponível em: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10449155/pdf/pone.0289991.pdf.
dc.identifier.uri.fl_str_mv https://patua.iec.gov.br/handle/iec/6927
dc.identifier.issn.-.fl_str_mv 1932-6203
dc.identifier.doi.pt_BR.fl_str_mv 10.1371/journal.pone.0289991
identifier_str_mv CASCAES, Márcia Moraes et al. Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon. PLoS ONE, v. 18, n. 8, p. 1-16, 2023. DOI: https://doi.org/10.1371/journal.pone.0289991. Disponível em: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10449155/pdf/pone.0289991.pdf.
1932-6203
10.1371/journal.pone.0289991
url https://patua.iec.gov.br/handle/iec/6927
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Public Library of Science
publisher.none.fl_str_mv Public Library of Science
dc.source.none.fl_str_mv reponame:Repositório Digital do Instituto Evandro Chagas (Patuá)
instname:Instituto Evandro Chagas (IEC)
instacron:IEC
instname_str Instituto Evandro Chagas (IEC)
instacron_str IEC
institution IEC
reponame_str Repositório Digital do Instituto Evandro Chagas (Patuá)
collection Repositório Digital do Instituto Evandro Chagas (Patuá)
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spelling 2023-09-05T12:45:52Z2023-09-05T12:45:52Z2023CASCAES, Márcia Moraes et al. Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon. PLoS ONE, v. 18, n. 8, p. 1-16, 2023. DOI: https://doi.org/10.1371/journal.pone.0289991. Disponível em: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10449155/pdf/pone.0289991.pdf.1932-6203https://patua.iec.gov.br/handle/iec/692710.1371/journal.pone.0289991Chemical composition of the essential oils (EOs) from the leaves of five Annonaceae species found in the amazon region was analyzed by Gas chromatography coupled to mass spectrometry. The antifungal activity of theses EOs was tested against Candida albicans, Candida auris, Candida famata, Candida krusei and Candida tropicalis. In addition, an in silico study of the molecular interactions was performed using molecular modeling approaches. Spathulenol (29.88%), α-pinene (15.73%), germacra-4(15),5,10(14)-trien-1-α-ol (6.65%), and caryophylene oxide (6.28%) where the major constitents from the EO of Anaxagorea dolichocarpa. The EO of Duguetia echinophora was characterized by β-phellanderene (24.55%), cryptone (12.43%), spathulenol (12.30%), and sabinene (7.54%). The major compounds of the EO of Guatteria scandens where β-pinene (46.71%), α-pinene (9.14%), bicyclogermacrene (9.33%), and E-caryophyllene (8.98%). The EO of Xylopia frutescens was characterized by α-pinene (40.12%) and β-pinene (36.46%). Spathulenol (13.8%), allo-aromadendrene epoxide (8.99%), thujopsan-2-α-ol (7.74%), and muurola-4,10(14)-dien-1-β-ol (7.14%) were the main chemical constituents reported in Xylopia emarginata EO. All EOs were active against the strains tested and the lowest inhibitory concentrations were observed for the EOs of D. echinophora, X. emarginata, and X. frutescens against C. famata the Minimum Inhibitory Concentration values of 0.07, 0.019 and 0.62 μL.mL-1, respectively. The fungicidal action was based on results of minimum fungicidal concentration and showed that the EOs showed fungicide activity against C. tropicalis (2.5 μL.mL-1), C. krusei (2.5 μL.mL-1) and C. auris (5 μL.mL-1), respectively. The computer simulation results indicated that the major compounds of the EOs can interact with molecular targets of Candida spp.CAPES ; PAPQ/PROPESP—Universidade Federal do Para.Universidade Federal do Pará. Programa de Pós-Graduação em Química. Belém, PA, Brazil.Museu Paraense Emílio Goeldi. Coordenação de Botânica. Laboratório Adolpho Ducke. Belém, PA, Brazil / Universidade Federal Rural da Amazônia. Programa de Pós-Graduação em Ciências Biológicas—Botânica Tropical. Belém, PA, Brazil / Museu Paraense Emílio Goeldi. Belém, PA, Brazil.Universidade Federal do Pará. Institute of Biological Sciences. Laboratory of Functional and Structural Biology. Belém, PA, Brazil.Universidade Federal do Pará. Institute of Biological Sciences. Laboratory of Functional and Structural Biology. Belém, PA, Brazil.Museu Paraense Emílio Goeldi. Coordenação de Botânica. Laboratório Adolpho Ducke. Belém, PA, Brazil.Museu Paraense Emílio Goeldi. Coordenação de Botânica. Laboratório Adolpho Ducke. Belém, PA, Brazil.Universidade Federal do Pará. Programa de Pós-Graduação em Química. Belém, PA, Brazil.Universidade Federal do Pará. Programa de Pós-Graduação em Química. Belém, PA, Brazil / Museu Paraense Emílio Goeldi. Coordenação de Botânica. Laboratório Adolpho Ducke. Belém, PA, Brazil.Ministério da Saúde. Secretaria de Vigilância em Saúde e Ambiente. Instituto Evandro Chagas. Laboratório de Micologia. Ananindeua, PA, Brasil.engPublic Library of ScienceExploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazoninfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleAnnonaceae / químicaÓleos Voláteis / análiseÓleos Voláteis / síntese químicaÓleos Voláteis / uso terapêuticoCandidíase / patologiaAntifúngicos / uso terapêuticoinfo:eu-repo/semantics/openAccessreponame:Repositório Digital do Instituto Evandro Chagas (Patuá)instname:Instituto Evandro Chagas (IEC)instacron:IECCascaes, Márcia MoraesSilva, Silvia Helena Marques daOliveira, Mozaniel Santana deCruz, Jorddy NevesMoraes, Ângeloa Antônio Barbosa deNascimento, Lidiane Diniz doFerreira, Oberdan OliveiraGuilhon, Giselle Maria Skelding PinheiroAndrade, Eloisa Helena de AguiarORIGINALExploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon.pdfExploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon.pdfapplication/pdf1116773https://patua.iec.gov.br/bitstreams/a3036de8-d0d8-441e-b7c3-09647064bc01/download88978b9ffd816bc856f08febde480ab2MD51LICENSElicense.txtlicense.txttext/plain; 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