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Antifungal activity, mode of action, docking prediction and anti-biofilm effects of (+)-β-pinene enantiomers against Candida spp.

Author(s):

Ana Cláudia de Macêdo Andrade, Pedro Luiz Rosalen, Irlan Almeida Freires, Luciana Scotti*, Marcus Tulius Scotti, Sabrina Garcia Aquino and Ricardo Dias de Castro  

Abstract:


Aims: The objective of this study was to investigate the effectiveness of (+)-β-pinene inhibition onCandida spp. growth,aiming at elucidation of the mechanism of action; to determinefungal cell enzymebinding activity (through molecular docking simulations) and its effects on biofilm reduction. Methodology:Candidastrains (n=26)from referencedand clinical origins, eithersusceptible or resistant to standard clinical antifungals, were tested for determination of Minimum Inhibitory Concentration (MIC); Minimum Fungicidal Concentration (MFC); and microbial death curves upon treatment with (+)-β-pinene; the effects of (+)-β-pinene on the cell wall (sorbitol assay), membrane ergosterol binding, and effects on biofilm wereevaluatedby microdilution techniques. We also evaluated the interactions between (+)-β-pinene and cell wall and membrane enzymes of interest. Results:The MIC values of (+)-β-pinene ranged from <56.25 to 1800 µmol/L. The MIC of (+)-β-pinene did not increase when ergosterol was added to the medium, however it did increase in the presence of sorbitol, leading to a doubled MIC for C. tropicalis and C. krusei. The results of the molecular docking simulationsindicatedbetter interactionwith delta-14-sterol reductase (−51 kcal/mol). (+)-β-pinene presents anti-biofilm activity againstmultiples species of Candida. Conclusion:(+)-β-pinene has antifungal activityand most likely acts throughinterference with the cell wall; through molecular interaction with Delta-14-sterol reductase and, to a lesser extent, with the 1,3-β-glucan synthase.This molecules was also found to effectively reduceCandida biofilm adhesion.

Keywords:

Candidiasis, Products with Antimicrobial Action, Antifungal Agents, Drug Synergism, Molecular Docking Simulation

Affiliation:

Federal University of Paraíba, Campus I, João Pessoa-PB, Piracicaba Dental School, University of Campinas, Piracicaba-SP, University of Florida College of Dentistry, Gainesville, FL, Federal University of Paraíba, Campus I, João Pessoa-PB, Federal University of Paraíba, Campus I, João Pessoa-PB, Federal University of Paraíba, Campus I, João Pessoa-PB, Federal University of Paraíba, Campus I, João Pessoa-PB



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