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Título : In vitro and in silico analysis of Galanthine from Zephyranthes carinata as an inhibitor of acetylcholinesterase
Autor : Osorio Durango, Edison
Sierra Henao, Karina Andrea
Bastida Armengol, Jaume
Cortes Rendón, Natalie Charlotte
de Andrade, Jean Paulo
Tallini, Luciana R.
Osorio, Edison H.
Yañéz, Osvaldo
Osorio, Manuel Isaías
Oleas, Nora H.
García Beltrán, Olimpo
de S. Borges, Warley
metadata.dc.subject.*: Acetilcolinesterasa - metabolismo
Acetylcholinesterase - metabolism
Alcaloides - farmacología
Alkaloids - pharmacology
Amaryllidaceae - química
Amaryllidaceae - chemistry
Amaryllidaceae - metabolismo
Amaryllidaceae - metabolism
Butirilcolinesterasa - metabolismo
Butyrylcholinesterase - metabolism
Inhibidores de la Colinesterasa - química
Cholinesterase Inhibitors - chemistry
Inhibidores de la Colinesterasa - farmacología
Cholinesterase Inhibitors - pharmacology
Simulación del Acoplamiento Molecular
Molecular Docking Simulation
https://id.nlm.nih.gov/mesh/D000110
https://id.nlm.nih.gov/mesh/D000470
https://id.nlm.nih.gov/mesh/D000070378
https://id.nlm.nih.gov/mesh/D002091
https://id.nlm.nih.gov/mesh/D002800
https://id.nlm.nih.gov/mesh/D062105
Fecha de publicación : 2022
Editorial : Elsevier
Citación : Sierra K, de Andrade JP, R Tallini L, Osorio EH, Yañéz O, Osorio MI, Oleas NH, García-Beltrán O, de S Borges W, Bastida J, Osorio E, Cortes N. In vitro and in silico analysis of galanthine from Zephyranthes carinata as an inhibitor of acetylcholinesterase. Biomed Pharmacother. 2022 Jun;150:113016. doi: 10.1016/j.biopha.2022.113016.
Resumen : ABSTRACT: Zephyranthes carinata Herb., a specie of the Amaryllidoideae subfamily, has been reported to have inhibitory activity against acetylcholinesterase. However, scientific evidence related to their bioactive alkaloids has been lacking. Thus, this study describes the isolation of the alkaloids of this plant, and their inhibition of the enzymes acetylcholinesterase (eeAChE) and butyrylcholinesterase (eqBuChE), being galanthine the main component. Additionally, haemanthamine, hamayne, lycoramine, lycorine, tazettine, trisphaeridine and vittatine/crinine were also isolated. The results showed that galanthine has significant activity at low micromolar concentrations for eeAChE (IC50 = 1.96 μg/mL). The in-silico study allowed to establish at a molecular level the high affinity and the way galanthine interacts with the active site of the TcAChE enzyme, information that corroborates the result of the experimental IC50. However, according to molecular dynamics (MD) analysis, it is also suggested that galanthine presents a different inhibition mode that the one observed for galanthamine, by presenting interaction with peripheral anionic binding site of the enzyme, which prevents the entrance and exit of molecules from the active site. Thus, in vitro screening assays plus rapid computer development play an essential role in the search for new cholinesterase inhibitors by identifying unknown bio-interactions between bioactive compounds and biological targets.
metadata.dc.identifier.eissn: 1950-6007
ISSN : 0753-3322
metadata.dc.identifier.doi: 10.1016/j.biopha.2022.113016
Aparece en las colecciones: Artículos de Revista en Farmacéutica y Alimentarias

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