Ocotea daphnifolia: phytochemical investigation, in vitro dual cholinesterase inhibition, and molecular docking studies



Document title: Ocotea daphnifolia: phytochemical investigation, in vitro dual cholinesterase inhibition, and molecular docking studies
Journal: Brazilian Journal of Pharmaceutical Sciences
Database: PERIÓDICA
System number: 000451523
ISSN: 1984-8250
Authors: 1
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Institutions: 1Universidade Estadual de Feira de Santana, Departamento de Saude, Feira de Santana, Bahia. Brasil
Year:
Volumen: 57
Country: Brasil
Language: Inglés
Document type: Artículo
Approach: Experimental, aplicado
English abstract This study aimed to evaluate the anticholinesterase activities of extracts and fractions of Ocotea daphnifolia in vitro and characterize its constituents. The effects of hexane, ethyl acetate, and ethanolic extracts on acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) activity were determined with a spectrophotometry assay. All extracts inhibited cholinesterase activity, and the ethanolic extract (2 mg/mL) exhibited the highest inhibition of both enzymes (99.7% for BuChE and 82.4% for AChE). The ethanolic extract was fractionated by column chromatography resulting in 14 fractions that were also screened for their anticholinesterase effects. Fraction 9 (2 mg/mL) showed the highest activity, inhibiting AChE and BuChE by 71.8% and 90.2%, respectively. This fraction was analyzed by high-performance liquid chromatography high-resolution mass spectrometry which allowed the characterization of seven glycosylated flavonoids (containing kaempferol and quercetin nucleus) and one alkaloid (reticuline). In order to better understand the enzyme-inhibitor interaction of the reticuline toward cholinesterase, molecular modeling studies were performed. Reticuline targeted the catalytic activity site of the enzymes. Ocotea daphnifolia exhibits a dual cholinesterase inhibitory activity and displays the same pattern of intermolecular interactions as described in the literature. The alkaloid reticuline can be considered as an important bioactive constituent of this plant
Disciplines: Química
Keyword: Bioquímica,
Fitoquímica,
Flavonoides,
Alcaloides,
Reticulina,
Inhibición enzimática,
Acetilcolinesterasa,
Ocotea daphnifolia,
Lauraceae
Keyword: Biochemistry,
Phytochemistry,
Flavonoids,
Alkaloids,
Reticuline,
Enzymatic inhibition,
Acetylcholinesterase,
Ocotea daphnifoliaLauraceae,
Lauraceae
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