Alkaloids from Hippeastrum argentinum and Their Cholinesterase- Inhibitory Activities: An in Vitro and in Silico Study

JAVIER E. ORTIZ; NATALIA B. PIGNI; SEBASTIA ANDUJAR; GERMAN ROITMAN; FERNANDO D. SUVIRE; RICARDO D. ENRIZ; ALEJANDRO TAPIA; JAUME BASTIDA; GABRIELA E. FERESIN

JOURNAL OF NATURAL PRODUCTS

AMER CHEMICAL SOC

Lugar: Washington; Año: 2016

0163-3864

Two new alkaloids, 4-O-methylnangustine (1) and7-hydroxyclivonine (2) (montanine and homolycorine types,respectively), and four known alkaloids were isolated from thebulbs of Hippeastrum argentinum, and their cholinesterase-inhibitory activities were evaluated. These compounds wereidentified using GC-MS, and their structures were defined byphysical data analysis. Compound 2 showed weak butyrylcholi-nesterase (BuChE)-inhibitory activity, with a half-maximalinhibitory concentration (IC50) value of 67.3 ± 0.09 μM. Tobetter understand the experimental results, a molecular modelingstudy was also performed. The combination of a docking study,molecular dynamics simulations, and quantum theory of atoms inmolecules calculations provides new insight into the molecularinteractions of compound 2 with BuChE, which were compared to those of galantamine.