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Phytochemical profile, antioxidant activity, inhibition of acetylcholinesterase and interaction mechanism of the major components of the Piper divaricatum essential oil obtained by supercritical CO2

2018; Elsevier BV; Volume: 145; Linguagem: Inglês

10.1016/j.supflu.2018.12.003

1872-8162

Mozaniel Santana de Oliveira, Jorddy Neves Cruz, Sebastião Gomes Silva, Wanessa Almeida da Costa, Sérgio Henrique Brabo de Sousa, Fernanda Wariss Figueiredo Bezerra, Edinaldo Teixeira, Nayara Janaína Neves da Silva, Eloísa Helena de Aguiar Andrade, Antônio Maia de Jesus Chaves Neto, Raul Nunes de Carvalho,

Essential Oils and Antimicrobial Activity

The present study reports the use of supercritical CO2 at different combinations of temperature and pressure: (35 and 55) °C, and (100, 300, and 500) bar to obtain fractions of the essential oil Piper divaricatum. The mass yields from extraction, chemical composition, antioxidant activity, and acetylcholinesterase (AChE) inhibitory activity were analyzed. The supercritical CO2 extraction showed better efficiency for obtaining essential oil compared with hydrodistillation. The isotherm of 55 °C/ 500 bar led to the highest mass yield (7.40 ± 0.08) %. methyl eugenol was the compound with the highest concentration ranging from (48.01–61.85) %, and the fraction obtained in the condition of 35 °C/ 300 bar was the most effective regarding the antioxidant activity, with values of (34.69 ± 1.38) % (DPPH) and (296.86 ± 8.96) mgTrolox/mL (ABTS), respectively. Ligands, after molecular docking, exhibited molecular poses that promoted interactions with different residues of amino acids that are important for the enzymatic catalysis with His447.