Structure Elucidation and Cholinesterase Inhibition Activity of Two New Minor Amaryllidaceae Alkaloids.
Jana MaříkováAbdullah Al MamunLatifah Al ShammariJan KorábečnýTomas KuceraDaniela HulcováJiří KunešMilan MalanikMichaela VaškováEliška KohelováLucie NovákováLucie CahlíkováMilan PourPublished in: Molecules (Basel, Switzerland) (2021)
Two new minor Amaryllidaceae alkaloids were isolated from Hippeastrum × hybridum cv. Ferrari and Narcissus pseudonarcissus cv. Carlton. The chemical structures were identified by various spectroscopic (one- and two-dimensional (1D and 2D) NMR, circular dichroism (CD), high-resolution mass spectrometry (HRMS) and by comparison with literature data of similar compounds. Both isolated alkaloids were screened for their human acetylcholinesterase (hAChE) and butyrylcholinesterase (hBuChE) inhibition activity. One of the new compounds, a heterodimer alkaloid of narcikachnine-type, named narciabduliine (2), showed balanced inhibition potency for both studied enzymes, with IC50 values of 3.29 ± 0.73 µM for hAChE and 3.44 ± 0.02 µM for hBuChE. The accommodation of 2 into the active sites of respective enzymes was predicted using molecular modeling simulation.
Keyphrases
- high resolution mass spectrometry
- liquid chromatography
- endothelial cells
- high resolution
- systematic review
- magnetic resonance
- ultra high performance liquid chromatography
- gas chromatography
- mass spectrometry
- solid state
- molecular docking
- tandem mass spectrometry
- electronic health record
- artificial intelligence
- ms ms