Kong Yuanfang, Xu Jindan, Zhu Pengbo, Wang Shaopei, Yang Bin, Zhang Jingyu, Dong Chunhong
Henan University of Chinese Medicine Zhengzhou 450046 Henan China
Henan Polysaccharide Research Center Zhengzhou 450046 Henan China.
RSC Adv. 2023 Nov 10;13(47):33204-33209. doi: 10.1039/d3ra05674k. eCollection 2023 Nov 7.
Iridoid glycoside, which belongs to the polyhydroxy compound, is a kind of active ingredient of traditional Chinese medicine with a wide range of sources, and has many pharmacological effects such as anti-cancer, anti-inflammatory, anti-virus, hypoglycemic and so on. Its structure contains many hydroxyl groups, including two primary hydroxyl groups. The chemical reactivity of primary hydroxyl groups has very little difference, so it is very important to control the selectivity of hydroxyl groups under certain conditions. In this paper, the difference between the two primary hydroxyl groups in iridoid glycoside was calculated based on computer simulation and verified this result through designed experiments. This study will provide an important way for site-directed modification of hydroxyl in iridoid glycoside in the future.
环烯醚萜苷属于多羟基化合物,是一种来源广泛的中药活性成分,具有抗癌、抗炎、抗病毒、降血糖等多种药理作用。其结构中含有多个羟基,其中包括两个伯羟基。伯羟基的化学反应活性差异很小,因此在一定条件下控制羟基的选择性非常重要。本文基于计算机模拟计算了环烯醚萜苷中两个伯羟基之间的差异,并通过设计实验验证了该结果。该研究将为未来环烯醚萜苷中羟基的定点修饰提供重要途径。