Wang Peixia, Liu Feng, Yang Xueyuan, Liang Yue, Li Shen, Su Guochen, Jin Da-Qing, Ohizumi Yasushi, Xu Jing, Guo Yuanqiang
State Key Laboratory of Medicinal Chemical Biology, College of Pharmacy, and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China.
School of Medicine, Nankai University, Tianjin 300071, People's Republic of China.
Phytochemistry. 2017 Dec;144:141-150. doi: 10.1016/j.phytochem.2017.09.005.
A phytochemical study on Scutellaria formosana afforded five previously undescribed spiro-diterpenoids, scutellapenes A-E. The structures were elucidated on the basis of extensive 1D and 2D NMR spectroscopic data analysis, and the absolute configurations of these compounds were established by the time-dependent density functional theory (TDDFT) electronic circular dichroism (ECD) calculations. Scutellapenes B-E possess a spiro-diterpenoid skeleton. All of the compounds showed inhibitory effects on LPS-induced nitric oxide (NO) production in murine microglial BV-2 cells. The further molecular docking studies revealed that these bioactive compounds had strong interactions with the iNOS protein.
对台湾黄芩进行的植物化学研究得到了五种前所未有的螺二萜类化合物，即黄芩螺萜A - E。通过广泛的一维和二维核磁共振光谱数据分析阐明了其结构，并通过含时密度泛函理论（TDDFT）电子圆二色性（ECD）计算确定了这些化合物的绝对构型。黄芩螺萜B - E具有螺二萜骨架。所有化合物对小鼠小胶质细胞BV - 2中脂多糖诱导的一氧化氮（NO）产生均表现出抑制作用。进一步的分子对接研究表明，这些生物活性化合物与诱导型一氧化氮合酶（iNOS）蛋白有强烈相互作用。
