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dc.contributor.authorOliveira, Mozaniel Santana de-
dc.contributor.authorCruz, Jorddy Neves da-
dc.contributor.authorMitre, Geovanni Pereira-
dc.contributor.authorCosta, Wanessa Almeida da-
dc.contributor.authorKataoka, Maria Sueli da Silva-
dc.contributor.authorSilva, Sebastião Gomes-
dc.contributor.authorAlves, Ana Cláudia Braga Amoras-
dc.contributor.authorPinheiro, João de Jesus Viana-
dc.contributor.authorSilva, Silvia Helena Marques da-
dc.contributor.authorMenezes, Sílvio Augusto Fernandes de-
dc.contributor.authorMenezes, Tatiany Oliveira de Alencar-
dc.contributor.authorChaves Neto, Antônio Maia de Jesus-
dc.contributor.authorCarvalho Junior, Raul Nunes de-
dc.date.accessioned2019-04-23T17:14:50Z-
dc.date.available2019-04-23T17:14:50Z-
dc.date.issued2019-
dc.identifier.citationOLIVEIRA, Mozaniel Santana de et al. Antimicrobial, cytotoxic activity of the syzygium aromaticum essential oil, molecular docking and dynamics molecular studies of its major chemical constituent. Journal of Computational and Theoretical Nanoscience, v. 16, n. 2, p. 355-364, Feb. 2019.pt_BR
dc.identifier.issn1546-1955-
dc.identifier.urihttp://patua.iec.gov.br//handle/iec/3659-
dc.description.abstractThe objective of the present work was to analyze the cytotoxic, antimicrobial activity and the action mechanism of the major component in of the Syzygium aromaticum essential oil obtained by supercritical CO 2 . In this work, gingival fibroblasts were exposed to the essential oil in different concentrations for one hour: 5 μL/ml, 7.5 μL/ml and 10 μL/ml. Culture medium was used as control. Cytotoxicity analysis was performed using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT ® ) method. The susceptibility was evaluated on three microorganisms Candida albicans, Escherichia coli and Staphylococcus aureus. The statistical analyses showed significant difference in cell viability for the concentration of 10 μL/mL, as compared to the control group. As a result, the plant extract had no cytotoxicity at concentrations below 10 μL/mL in human gingival fibroblasts. The interaction mode of eugenol, the major compound and main component responsible for the biological activity of the essential oil was evaluated. The molecular docking of eugenol with important proteins of the metabolic pathway of the microorganisms C. albicans, E. coli and S. aureus were performed. The results demonstrated that the compound is capable of interacting with catalytic residues of the enzymes and forming an energetically favorable system with such proteins. The results of binding free energy obtained demonstrate this capacity. For the eugenol-N-myristoyltransferase (C. albicans) system, the value of ∆G bind was −19.01 kcal/mol, for Enoyl reductase (E. Coli) ∆G bind was equal to −11.31 kcal/mol and for SarA (S. aureus) ∆G bind was −13.58 kcal/mol.pt_BR
dc.description.sponsorshipLambda Alpha International (1427204); Montana Tech (1662230);pt_BR
dc.language.isoengpt_BR
dc.publisherAmerican Scientific Publisherspt_BR
dc.rightsAcesso Embargadopt_BR
dc.titleAntimicrobial, cytotoxic activity of the syzygium aromaticum essential oil, molecular docking and dynamics molecular studies of its major chemical constituentpt_BR
dc.typeArtigopt_BR
dc.subject.decsPrimaryÓleos Voláteis / químicapt_BR
dc.subject.decsPrimarySyzygium / químicapt_BR
dc.subject.decsPrimaryEugenol / síntese químicapt_BR
dc.subject.decsPrimaryExtratos Vegetais / químicapt_BR
dc.subject.decsPrimaryTestes Imunológicos de Citotoxicidadept_BR
dc.creator.affilliationFederal University of Para. Faculty of Food Engineering. Program of Post-Graduation in Food Science and Technology. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Para. Laboratory of Preparation and Computation of Nanomaterials. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Pará. Faculty of Dentistry. Cell Culture Laboratory. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Para. Program of Post-Graduation in Natural Resources Engineering. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Pará. Faculty of Dentistry. Cell Culture Laboratory. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Para. Program of Post-Graduation in Chemistry. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Pará. Faculty of Dentistry. Cell Culture Laboratory. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Pará. Faculty of Dentistry. Cell Culture Laboratory. Belém, PA, Brazil.pt_BR
dc.creator.affilliationMinistério da Saúde. Secretaria de Vigilância em Saúde. Instituto Evandro Chagas. Ananindeua, PA, Brasil.pt_BR
dc.creator.affilliationUniversity Center of Pará State. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Pará. Faculty of Dentistry. Cell Culture Laboratory. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Para. Laboratory of Preparation and Computation of Nanomaterials. Belém, PA, Brazil.pt_BR
dc.creator.affilliationFederal University of Para. Faculty of Food Engineering. Program of Post-Graduation in Food Science and Technology. Belém, PA, Brazil.pt_BR
dc.identifier.doi10.1166/jctn.2019.8108-


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