Marikova_2021_Molecules_26_

Two new minor Amaryllidaceae alkaloids were isolated from Hippeastrum x 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 IC(50) values of 3.29 +/- 0.73 microM for hAChE and 3.44 +/- 0.02 microM for hBuChE. The accommodation of 2 into the active sites of respective enzymes was predicted using molecular modeling simulation.