Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans

Detalhes bibliográficos
Autor(a) principal: Pereira, Rafael
Data de Publicação: 2021
Outros Autores: Mendes, Josilayne de Fátima Souza, Fontenelle, Raquel Oliveira dos Santos, Rodrigues, Tigressa Helena Soares, Santos, Hélcio Silva dos, Marinho, Emmanuel Silva, Marinho, Márcia Machado, Morais, Selene Maia de
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Research, Society and Development
Texto Completo: https://rsdjournal.org/index.php/rsd/article/view/20457
Resumo: The aim of the present study was to investigate the biological activity of A. sativum essential oil against clinical isolates of C. albicans and, in addition, a computational study of the action of two main compounds of the essential oil on the protein of the fungus CYP51 was carried out. The Minimum Inhibitory Concentration and the Minimum Fungicidal Concentration were determined by the broth microdilution method. The biofilm formation was evaluated by biomass quantification using the violet crystal staining method. For the study of molecular docking computer simulations of interaction between CYP51 and ligands were performed using the AutoDock Vina code. The main constituents were diallyl disulfide, followed by diallyl disulfide. The essential oil demonstrated activity against clinical isolates of C. albicans. The essential oil showed a reduction progressive increase in the biomass produced from the biofilms of all yeasts tested in this study. The ligands Diallyl disulfide, Diallyl trisulfide and fluconazole formed complexes with the protein target.  Based on the results, the essential oil of A. sativum can be considered promising product for the development of new drugs in the prevention of infections associated with C. albicans. This study characterizes the effects of A. sativum essential oil against clinical isolates of C. albicans responsible for the development of pathologies in humans.
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spelling Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicansAntifúngico, antibiofilm, sinergismo y actividad de acoplamiento molecular del aceite esencial de Allium sativum contra aislados clínicos de C. albicansAtividade antifúngica, antibiofilme, sinergismo e docking molecular do óleo essencial de Allium sativum contra isolados clínicos de C. albicansPatogeniaBiopelículasModeladoVirulenciaMicología.PathogenesisBiofilmsModellingVirulenceMycology.PatogêneseBiofilmesModelagemVirulênciaMicologia.The aim of the present study was to investigate the biological activity of A. sativum essential oil against clinical isolates of C. albicans and, in addition, a computational study of the action of two main compounds of the essential oil on the protein of the fungus CYP51 was carried out. The Minimum Inhibitory Concentration and the Minimum Fungicidal Concentration were determined by the broth microdilution method. The biofilm formation was evaluated by biomass quantification using the violet crystal staining method. For the study of molecular docking computer simulations of interaction between CYP51 and ligands were performed using the AutoDock Vina code. The main constituents were diallyl disulfide, followed by diallyl disulfide. The essential oil demonstrated activity against clinical isolates of C. albicans. The essential oil showed a reduction progressive increase in the biomass produced from the biofilms of all yeasts tested in this study. The ligands Diallyl disulfide, Diallyl trisulfide and fluconazole formed complexes with the protein target.  Based on the results, the essential oil of A. sativum can be considered promising product for the development of new drugs in the prevention of infections associated with C. albicans. This study characterizes the effects of A. sativum essential oil against clinical isolates of C. albicans responsible for the development of pathologies in humans.El objetivo del presente estudio fue investigar la actividad biológica del aceite esencial de A. sativum frente a aislados clínicos de C. albicans y, además, un estudio computacional de la acción de dos compuestos principales del aceite esencial sobre la proteína del hongo CYP51. La Concentración Mínima Inhibitoria y la Concentración Mínima Fungicida se determinaron mediante el método de microdilución en caldo. La formación de biopelículas se evaluó mediante cuantificación de biomasa utilizando el método de tinción con violeta cristal. Para el estudio del acoplamiento molecular, se realizaron simulaciones por computadora de la interacción entre CYP51 y ligandos utilizando el código AutoDock Vina. Los componentes principales fueron disulfuro de dialilo, seguido por disulfuro de dialilo. El aceite esencial demostró actividad contra aislados clínicos de C. albicans. El aceite esencial mostró una reducción progresiva y un aumento de la biomasa producida a partir de las biopelículas de todas las levaduras probadas en este estudio. Los enlazadores de disulfuro de dialilo, trisulfuro de dialilo y fluconazol formaron complejos con la proteína diana. Según los resultados, el aceite esencial de A. sativum puede considerarse un producto prometedor para el desarrollo de nuevos fármacos para prevenir infecciones asociadas con C. albicans. Este estudio caracteriza los efectos del aceite esencial de A. sativum contra aislados clínicos de C. albicans responsables del desarrollo de patologías en humanos.O objetivo do presente estudo foi investigar a atividade biológica do óleo essencial de A. sativum contra isolados clínicos de C. albicans e, além disso, um estudo computacional da ação de dois compostos principais do óleo essencial sobre a proteína do fungo CYP51. A Concentração Inibitória Mínima e a Concentração Fungicida Mínima foram determinadas pelo método da microdiluição em caldo. A formação de biofilme foi avaliada por quantificação de biomassa usando o método de coloração com cristal violeta. Para o estudo de docking molecular, simulações de computador de interação entre CYP51 e ligantes foram realizadas usando o código AutoDock Vina. Os principais constituintes foram dissulfeto de dialila, seguido por dissulfeto de dialila. O óleo essencial demonstrou atividade contra isolados clínicos de C. albicans. O óleo essencial apresentou redução progressiva e aumento da biomassa produzida a partir dos biofilmes de todas as leveduras testadas neste estudo. Os ligantes dissulfeto de dialila, trissulfeto de dialila e fluconazol formaram complexos com a proteína alvo. Com base nos resultados, o óleo essencial de A. sativum pode ser considerado produto promissor para o desenvolvimento de novos fármacos na prevenção de infecções associadas a C. albicans. Este estudo caracteriza os efeitos do óleo essencial de A. sativum contra isolados clínicos de C. albicans responsáveis pelo desenvolvimento de patologias em humanos.Research, Society and Development2021-09-23info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/2045710.33448/rsd-v10i12.20457Research, Society and Development; Vol. 10 No. 12; e313101220457Research, Society and Development; Vol. 10 Núm. 12; e313101220457Research, Society and Development; v. 10 n. 12; e3131012204572525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIenghttps://rsdjournal.org/index.php/rsd/article/view/20457/18286Copyright (c) 2021 Rafael Pereira; Josilayne de Fátima Souza Mendes; Raquel Oliveira dos Santos Fontenelle; Tigressa Helena Soares Rodrigues; Hélcio Silva dos Santos; Emmanuel Silva Marinho; Márcia Machado Marinho; Selene Maia de Moraishttps://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccessPereira, Rafael Mendes, Josilayne de Fátima Souza Fontenelle, Raquel Oliveira dos Santos Rodrigues, Tigressa Helena Soares Santos, Hélcio Silva dos Marinho, Emmanuel Silva Marinho, Márcia Machado Morais, Selene Maia de 2021-11-14T20:26:51Zoai:ojs.pkp.sfu.ca:article/20457Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:40:05.992454Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false
dc.title.none.fl_str_mv Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
Antifúngico, antibiofilm, sinergismo y actividad de acoplamiento molecular del aceite esencial de Allium sativum contra aislados clínicos de C. albicans
Atividade antifúngica, antibiofilme, sinergismo e docking molecular do óleo essencial de Allium sativum contra isolados clínicos de C. albicans
title Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
spellingShingle Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
Pereira, Rafael
Patogenia
Biopelículas
Modelado
Virulencia
Micología.
Pathogenesis
Biofilms
Modelling
Virulence
Mycology.
Patogênese
Biofilmes
Modelagem
Virulência
Micologia.
title_short Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
title_full Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
title_fullStr Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
title_full_unstemmed Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
title_sort Antifungal activity, antibiofilm, synergism and molecular docking of Allium sativum essential oil against clinical isolates of C. albicans
author Pereira, Rafael
author_facet Pereira, Rafael
Mendes, Josilayne de Fátima Souza
Fontenelle, Raquel Oliveira dos Santos
Rodrigues, Tigressa Helena Soares
Santos, Hélcio Silva dos
Marinho, Emmanuel Silva
Marinho, Márcia Machado
Morais, Selene Maia de
author_role author
author2 Mendes, Josilayne de Fátima Souza
Fontenelle, Raquel Oliveira dos Santos
Rodrigues, Tigressa Helena Soares
Santos, Hélcio Silva dos
Marinho, Emmanuel Silva
Marinho, Márcia Machado
Morais, Selene Maia de
author2_role author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Pereira, Rafael
Mendes, Josilayne de Fátima Souza
Fontenelle, Raquel Oliveira dos Santos
Rodrigues, Tigressa Helena Soares
Santos, Hélcio Silva dos
Marinho, Emmanuel Silva
Marinho, Márcia Machado
Morais, Selene Maia de
dc.subject.por.fl_str_mv Patogenia
Biopelículas
Modelado
Virulencia
Micología.
Pathogenesis
Biofilms
Modelling
Virulence
Mycology.
Patogênese
Biofilmes
Modelagem
Virulência
Micologia.
topic Patogenia
Biopelículas
Modelado
Virulencia
Micología.
Pathogenesis
Biofilms
Modelling
Virulence
Mycology.
Patogênese
Biofilmes
Modelagem
Virulência
Micologia.
description The aim of the present study was to investigate the biological activity of A. sativum essential oil against clinical isolates of C. albicans and, in addition, a computational study of the action of two main compounds of the essential oil on the protein of the fungus CYP51 was carried out. The Minimum Inhibitory Concentration and the Minimum Fungicidal Concentration were determined by the broth microdilution method. The biofilm formation was evaluated by biomass quantification using the violet crystal staining method. For the study of molecular docking computer simulations of interaction between CYP51 and ligands were performed using the AutoDock Vina code. The main constituents were diallyl disulfide, followed by diallyl disulfide. The essential oil demonstrated activity against clinical isolates of C. albicans. The essential oil showed a reduction progressive increase in the biomass produced from the biofilms of all yeasts tested in this study. The ligands Diallyl disulfide, Diallyl trisulfide and fluconazole formed complexes with the protein target.  Based on the results, the essential oil of A. sativum can be considered promising product for the development of new drugs in the prevention of infections associated with C. albicans. This study characterizes the effects of A. sativum essential oil against clinical isolates of C. albicans responsible for the development of pathologies in humans.
publishDate 2021
dc.date.none.fl_str_mv 2021-09-23
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://rsdjournal.org/index.php/rsd/article/view/20457
10.33448/rsd-v10i12.20457
url https://rsdjournal.org/index.php/rsd/article/view/20457
identifier_str_mv 10.33448/rsd-v10i12.20457
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv https://rsdjournal.org/index.php/rsd/article/view/20457/18286
dc.rights.driver.fl_str_mv https://creativecommons.org/licenses/by/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Research, Society and Development
publisher.none.fl_str_mv Research, Society and Development
dc.source.none.fl_str_mv Research, Society and Development; Vol. 10 No. 12; e313101220457
Research, Society and Development; Vol. 10 Núm. 12; e313101220457
Research, Society and Development; v. 10 n. 12; e313101220457
2525-3409
reponame:Research, Society and Development
instname:Universidade Federal de Itajubá (UNIFEI)
instacron:UNIFEI
instname_str Universidade Federal de Itajubá (UNIFEI)
instacron_str UNIFEI
institution UNIFEI
reponame_str Research, Society and Development
collection Research, Society and Development
repository.name.fl_str_mv Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)
repository.mail.fl_str_mv rsd.articles@gmail.com
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