Abstract

A chemical investigation of Solanum lyratum Thumb. (Solanace) afforded two new lignans (1b and 3) and eleven known lignan analogues (1a, 2a/2b and 4–11). Compounds 1a/1b and 2a/2b were separated as two pairs of enantiomers by chiral high-performance liquid chromatography (HPLC). Their structures were elucidated by detailed spectroscopic and comparative literature data analysis. The absolute configurations of compounds 1a/1b and 2a/2b were determined by comparing the experimental ECD data with the calculated values. All compounds were evaluated for their acetylcholinesterase (AChE) inhibitory activity. Notably, compared to the positive control, compounds 4 and 9 showed obvious AChE inhibition with their IC₅₀ values of 1.30 ± 0.25 and 0.89 ± 0.04 μM, respectively. In addition, the possible interaction between acetylcholinesterase and the active compounds was also investigated by molecular docking.

摘要

Solanum lyratum Thumb的化学研究。(Solanace) 提供了两种新的木脂素（1b和3）和十一种已知的木脂素类似物（1a、2a / 2b和4 – 11）。通过手性高效液相色谱 (HPLC) 将化合物1a / 1b和2a / 2b分离为两对对映体。通过详细的光谱和比较文献数据分析阐明了它们的结构。通过将实验ECD数据与计算值进行比较，确定了化合物1a / 1b和2a / 2b的绝对构型。对所有化合物的乙酰胆碱酯酶 (AChE) 抑制活性进行了评估。值得注意的是，与阳性对照相比，化合物4和9表现出明显的AChE抑制作用，其IC ₅₀值分别为1.30±0.25和0.89±0.04μM。此外，还通过分子对接研究了乙酰胆碱酯酶与活性化合物之间可能的相互作用。