Center for Research and Technology Transfer (CRTT), Vietnam Academy of Science and Technology (VAST), Hanoi 10072, Vietnam.
Graduate University of Science and Technology, VAST, Hanoi 10072, Vietnam.
J Asian Nat Prod Res. 2024 May;26(5):652-662. doi: 10.1080/10286020.2023.2269541. Epub 2023 Oct 27.
Alkaloids are among the most important and best-known secondary metabolites as sources of new drugs from medicinal plants and marine organisms. A phytochemical investigation of the whole plant of var. resulted in the isolation of seven alkaloids (-), including one new dimeric compound, bis-(-)-8-demethylmaritidine (). Their structures were elucidated using NMR and HR-ESI-MS. The absolute configuration of new compound was established by circular dichroism spectroscopy. All isolated compounds were evaluated for their inhibitory effects on acetylcholinesterase (AChE) activity . Among them, compound exhibited the most potent AChE inhibition. Moreover, molecular docking and molecular dynamics simulations were carried out for the most active compound to investigate their binding interactions and dynamics behavior of the AChE protein-ligand complex. Therefore, compound may be a potential candidate for effectively treating Alzheimer's disease.
生物碱是最重要和最著名的次生代谢产物之一，可作为药用植物和海洋生物中新药物的来源。对 var. 的全植物进行的植物化学研究导致分离出了七种生物碱（-），包括一种新的二聚化合物 bis-(-)-8-demethylmaritidine ()。它们的结构通过 NMR 和 HR-ESI-MS 阐明。新化合物 的绝对构型通过圆二色光谱确定。所有分离得到的化合物均评估了其对乙酰胆碱酯酶（AChE）活性的抑制作用。其中，化合物 表现出最强的 AChE 抑制作用。此外，还对最活跃的化合物进行了分子对接和分子动力学模拟，以研究它们与 AChE 蛋白-配体复合物的结合相互作用和动力学行为。因此，化合物 可能是有效治疗阿尔茨海默病的潜在候选药物。
