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Tytuł:
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Profiling of acetylcholinesterase inhibitory alkaloids from some Crinum , Habranthus and Zephyranthes species by GC-MS combined with multivariate analyses and in silico studies.
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Autorzy:
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Shawky E; Department of Pharmacognosy, Faculty of Pharmacy, Alexandria University, Alexandria, Egypt.
El Sohafy SM; Department of Pharmacognosy, Faculty of Pharmacy, Alexandria University, Alexandria, Egypt.
de Andrade JP; Chemistry Departament, Federal University of Espírito Santo, Vitória, ES, Brazil.
de Souza Borges W; Chemistry Departament, Federal University of Espírito Santo, Vitória, ES, Brazil.
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Źródło:
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Natural product research [Nat Prod Res] 2021 Mar; Vol. 35 (5), pp. 807-814. Date of Electronic Publication: 2019 Apr 16.
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Typ publikacji:
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Journal Article
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Język:
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English
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Imprint Name(s):
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Original Publication: Milton Park, UK : Taylor & Francis Health Sciences, c2003-
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MeSH Terms:
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Computer Simulation*
Gas Chromatography-Mass Spectrometry*
Alkaloids/*pharmacology
Amaryllidaceae/*chemistry
Cholinesterase Inhibitors/*pharmacology
Crinum/*chemistry
Acetylcholinesterase/metabolism ; Alkaloids/chemistry ; Alzheimer Disease ; Amaryllidaceae Alkaloids/chemistry ; Amaryllidaceae Alkaloids/pharmacology ; Catalytic Domain ; Cholinesterase Inhibitors/chemistry ; Galantamine/chemistry ; Galantamine/pharmacology ; Humans ; Molecular Docking Simulation ; Multivariate Analysis ; Plant Extracts/chemistry ; Plant Leaves/chemistry ; Plant Roots/chemistry
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Contributed Indexing:
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Keywords: Amaryllidaceae; GC-MS; acetylcholinesterase; metabolomics; molecular docking
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Substance Nomenclature:
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0 (Alkaloids)
0 (Amaryllidaceae Alkaloids)
0 (Cholinesterase Inhibitors)
0 (Plant Extracts)
0D3Q044KCA (Galantamine)
EC 3.1.1.7 (Acetylcholinesterase)
TAG8LU84K2 (lycoramine)
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Entry Date(s):
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Date Created: 20190417 Date Completed: 20210503 Latest Revision: 20210503
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Update Code:
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20240104
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DOI:
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10.1080/14786419.2019.1598989
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PMID:
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30990078
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Acetylcholinesterase (AChE) inhibitors remain the class of drugs used for the treatment of Alzheimer disease (AD). For the aim of discovering new sources of potent AChE inhibitors, a combined AChE-inhibitory activity together with alkaloid profiles by GC-MS, combined with multivariate statistical analysis for biomarkers determination and in silico studies were attempted. Strategy was applied on leaves, roots and bulbs of six aquatic and terrestrial Amaryllidaceae species. Thirty alkaloids were identified and the AChE inhibitory activities of the extracts were tested by in-vitro Ellman method. Principal bioactive markers were discovered by correlating AChE inhibitory activity with chemical fingerprints via PLS and OPLS modeling which revealed that galanthamine, lycoramine, caranine, tazettine and N -demethylgalanthamine were the most bio-significant markers. Furthermore, the molecular docking was performed to illustrate binding orientations of the top scoring alkaloids in the active site of human acetylcholinesterase. Suggested strategy revealed that, beside galanthamine, caranine, N -demethylgalanthamine, and lycoramine are promising AChE inhibitors.