Department of Bioorganic and Organic Chemistry, Faculty of Pharmacy, Charles University, Heyrovskeho 1203, 500 05 Hradec Kralove, Czech Republic.
ADINACO Research Group, Department of Pharmaceutical Botany, Faculty of Pharmacy, Charles University, Heyrovskeho 1203, 500 05 Hradec Kralove, Czech Republic.
Molecules. 2021 Feb 26;26(5):1279. doi: 10.3390/molecules26051279.
Two new minor Amaryllidaceae alkaloids were isolated from × cv. Ferrari and 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 (AChE) and butyrylcholinesterase (BuChE) inhibition activity. One of the new compounds, a heterodimer alkaloid of narcikachnine-type, named narciabduliine (), showed balanced inhibition potency for both studied enzymes, with IC values of 3.29 ± 0.73 µM for AChE and 3.44 ± 0.02 µM for BuChE. The accommodation of into the active sites of respective enzymes was predicted using molecular modeling simulation.
从杂种安祖花（ × cv. Ferrari）和杂种卡尔顿（ cv. Carlton）中分离得到两种新的小百合科生物碱。通过各种光谱（一维和二维（1D 和 2D）NMR、圆二色性（CD）、高分辨率质谱（HRMS）和与类似化合物的文献数据进行比较，确定了它们的化学结构。对两种分离得到的生物碱进行了人乙酰胆碱酯酶（AChE）和丁酰胆碱酯酶（BuChE）抑制活性筛选。其中一种新的生物碱是纳曲卡宁型的杂二聚体生物碱，命名为纳氏阿布丁（narciabduliine）（），对两种研究酶均表现出平衡抑制活性，对 AChE 的 IC 值为 3.29 ± 0.73 µM，对 BuChE 的 IC 值为 3.44 ± 0.02 µM。通过分子建模模拟预测了 进入相应酶的活性部位的适应性。
