Yan Yushu, Li Yuxia, Sa Kuiru, Sun Dejuan, Li Hua, Chen Lixia
Key Laboratory of Structure-Based Drug Design and Discovery, Wuya College of Innovation, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, China.
Institute of Structural Pharmacology & TCM Chemical Biology, College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, 350122, China.
Chem Biodivers. 2023 Feb;20(2):e202201040. doi: 10.1002/cbdv.202201040. Epub 2023 Jan 12.
An undescribed xanthone dimer, 1,3,5,8-tetrahydroxy-7-(1',5',8'-trihydroxy-3'-methoxy-2'-xanthonyl)xanthone (1) was separated together with eleven known compounds (2-12) from the dried whole herb of Swertia pseudochinensis. It was the first time that the compounds 8-12 were isolated from the Swertia genus. The structure of compound 1 was illuminated based on chemical evidence and spectral data analysis (UV, 1D and 2D-NMR, HR-ESI-MS). Moreover, the inhibitory effects of all compounds on NO production in LPS-induced RAW 264.7 cells were tested, compounds 8, 9, 10, 11 and 12 showing significant inhibition. The IC value of compound 12 was 3.05±1.10 μM. Using target screening and molecular docking, we hypothesized that compound 12 may bind neutrophil elastase to exert its anti-inflammatory effects.
从当药全草中分离得到一个未报道的氧杂蒽酮二聚体1,3,5,8-四羟基-7-(1',5',8'-三羟基-3'-甲氧基-2'-氧杂蒽酮基)氧杂蒽酮(1)以及11个已知化合物(2 - 12)。化合物8 - 12首次从当药属植物中分离得到。基于化学证据和光谱数据分析(紫外光谱、一维和二维核磁共振、高分辨电喷雾电离质谱)阐明了化合物1的结构。此外,测试了所有化合物对脂多糖诱导的RAW 264.7细胞中一氧化氮产生的抑制作用,化合物8、9、10、11和12表现出显著抑制作用。化合物12的半数抑制浓度值为3.05±1.10 μM。通过靶点筛选和分子对接,我们推测化合物12可能通过结合中性粒细胞弹性蛋白酶发挥其抗炎作用。