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Alkaloids from Hippeastrum argentinum and Their Cholinesterase-Inhibitory Activities: An in Vitro and in Silico Study.
- Source :
-
Journal of natural products [J Nat Prod] 2016 May 27; Vol. 79 (5), pp. 1241-8. Date of Electronic Publication: 2016 Apr 20. - Publication Year :
- 2016
-
Abstract
- Two new alkaloids, 4-O-methylnangustine (1) and 7-hydroxyclivonine (2) (montanine and homolycorine types, respectively), and four known alkaloids were isolated from the bulbs of Hippeastrum argentinum, and their cholinesterase-inhibitory activities were evaluated. These compounds were identified using GC-MS, and their structures were defined by physical data analysis. Compound 2 showed weak butyrylcholinesterase (BuChE)-inhibitory activity, with a half-maximal inhibitory concentration (IC50) value of 67.3 ± 0.09 μM. To better understand the experimental results, a molecular modeling study was also performed. The combination of a docking study, molecular dynamics simulations, and quantum theory of atoms in molecules calculations provides new insight into the molecular interactions of compound 2 with BuChE, which were compared to those of galantamine.
- Subjects :
- Amaryllidaceae Alkaloids chemistry
Amaryllidaceae Alkaloids isolation & purification
Argentina
Gas Chromatography-Mass Spectrometry
Inhibitory Concentration 50
Models, Molecular
Molecular Structure
Nuclear Magnetic Resonance, Biomolecular
Plant Roots chemistry
Amaryllidaceae Alkaloids pharmacology
Butyrylcholinesterase drug effects
Subjects
Details
- Language :
- English
- ISSN :
- 1520-6025
- Volume :
- 79
- Issue :
- 5
- Database :
- MEDLINE
- Journal :
- Journal of natural products
- Publication Type :
- Academic Journal
- Accession number :
- 27096334
- Full Text :
- https://doi.org/10.1021/acs.jnatprod.5b00785