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

Autor: Cascaes MM; Programa de Pós-Graduação em Química, Universidade Federal do Pará, Belém, PA, Brazil., Marques da Silva SH; Seção de Bacteriologia e Micologia LabMicol-SABMI Laboratório de Micologia, Instituto Evandro Chagas-IEC/SVS/MS, Ananindeua, Brazil., de Oliveira MS; Laboratório Adolpho Ducke, Coordenação de Botânica, Museu Paraense Emílio Goeldi, Belém, Brazil.; Programa de Pós-Graduação em Ciências Biológicas-Botânica Tropical, Universidade Federal Rural da Amazônia and Museu Paraense Emílio Goeldi, Belém, PA, Brazil., Cruz JN; Laboratory of Functional and Structural Biology, Institute of Biological Sciences, Universidade Federal do Pará, Belém, PA, Brazil., de Moraes ÂAB; Laboratory of Functional and Structural Biology, Institute of Biological Sciences, Universidade Federal do Pará, Belém, PA, Brazil., do Nascimento LD; Laboratório Adolpho Ducke, Coordenação de Botânica, Museu Paraense Emílio Goeldi, Belém, Brazil., Ferreira OO; Laboratório Adolpho Ducke, Coordenação de Botânica, Museu Paraense Emílio Goeldi, Belém, Brazil., Guilhon GMSP; Programa de Pós-Graduação em Química, Universidade Federal do Pará, Belém, PA, Brazil., Andrade EHA; Programa de Pós-Graduação em Química, Universidade Federal do Pará, Belém, PA, Brazil.; Laboratório Adolpho Ducke, Coordenação de Botânica, Museu Paraense Emílio Goeldi, Belém, Brazil.
Jazyk: angličtina
Zdroj: PloS one [PLoS One] 2023 Aug 24; Vol. 18 (8), pp. e0289991. Date of Electronic Publication: 2023 Aug 24 (Print Publication: 2023).
DOI: 10.1371/journal.pone.0289991
Abstrakt: 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.
Competing Interests: The authors have declared that no competing interests exist.
(Copyright: © 2023 Cascaes et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)
Databáze: MEDLINE
Externí odkaz:
Nepřihlášeným uživatelům se plný text nezobrazuje