Abstract

Alkaloid profiles from Amaryllis belladonna plants collected in Chile were examined by GC-MS to assess their inhibitory activity on acetylcholinesterase (AChE) using in vitro and in silico methodologies. The alkaloid extract was roughly separated by column chromatography on silica gel. AChE inhibitory activities from extracts and purified alkaloids were tested by the Ellman method and a molecular docking study was performed to assess the interaction between AChE and purified alkaloids. Sixteen alkaloids were found from hexane and chloroform extracts, and three were isolated and identified as buphanidrine, acetylcaranine and lycorine. Chloroform extract showed the greatest AChE inhibitory activity with IC₅₀ value 8.89 µg/mL, whereas buphanidrine exhibited the highest inhibitory activity, with IC₅₀ value 17.56 µg/mL. Inhibition kinetics showed that buphanidrine acts as a mixed inhibitor and molecular docking supports this inhibition mechanism. Overall, our study supports the potential use of A. belladonna as an alkaloid source with AChE inhibitory activity.

摘要

通过 GC-MS 对智利收集的孤挺花颠茄植物的生物碱谱进行了检测，以使用体外和计算机方法评估其对乙酰胆碱酯酶 (AChE) 的抑制活性。通过硅胶柱色谱粗略分离生物碱提取物。通过 Ellman 方法测试提取物和纯化生物碱的 AChE 抑制活性，并进行分子对接研究以评估 AChE 和纯化生物碱之间的相互作用。从己烷和氯仿提取物中发现了 16 种生物碱，其中 3 种被分离鉴定为丁香啶、乙酰卡拉宁和石蒜碱。氯仿提取物显示出最大的 AChE 抑制活性，IC ₅₀值 8.89 µg/mL，而布芬啶的抑制活性最高，IC ₅₀值为 17.56 µg/mL。抑制动力学表明，buphanidrine 作为混合抑制剂，分子对接支持这种抑制机制。总体而言，我们的研究支持将颠茄作为具有 AChE 抑制活性的生物碱来源的潜在用途。