Key Laboratory of Basic and Application Research of Beiyao (Heilongjiang University of Chinese Medicine), Ministry of Education, Harbin 150040, PR China.
College of Agriculture, Northeast Agricultural University, Harbin 150030, PR China.
Fitoterapia. 2024 Dec;179:106246. doi: 10.1016/j.fitote.2024.106246. Epub 2024 Oct 10.
Three undescribed isosteroidal alkaloids (1-3), along with two known ones (4, 5) were isolated from the bulbs of Fritillaria ussuriensis Maxim, their structures were established by comprehensive analyses of the 1D, 2D-NMR and HR-ESI-MS data. Meanwhile, LPS-activated RAW 264.7 macrophages were used to determine the potential anti-inflammatory activity of all the alkaloids in vitro. Among them, compounds 1 and 4 showed significant inhibitory effects against LPS-induced NO production with IC values of 7.79 μM and 11.22 μM, respectively. Compounds 1 and 4 were performed between molecular docking with TLR4/MD2. Based on the results of cell experiments and binding affinities, compound 1 (UG) was chosen for molecular dynamic analysis together with the TLR4/MD2 protein.
从乌头属植物的鳞茎中分离得到了三种未被描述的异甾体生物碱（1-3），以及两种已知的生物碱（4,5）。通过综合分析 1D、2D-NMR 和 HR-ESI-MS 数据确定了它们的结构。同时，利用 LPS 激活的 RAW 264.7 巨噬细胞在体外测定了所有生物碱的潜在抗炎活性。其中，化合物 1 和 4 对 LPS 诱导的 NO 产生具有显著的抑制作用，IC 值分别为 7.79 μM 和 11.22 μM。化合物 1 和 4 与 TLR4/MD2 进行了分子对接。基于细胞实验和结合亲和力的结果，选择化合物 1（UG）与 TLR4/MD2 蛋白一起进行分子动力学分析。
