Key Laboratory on Protein Chemistry and Structural Biology, China Pharmaceutical University, Nanjing 210009, PR China.
College of pharmacy, Hebei University, Baoding 071002, PR China.
Fitoterapia. 2019 Apr;134:135-140. doi: 10.1016/j.fitote.2019.02.010. Epub 2019 Feb 13.
The determination of the absolute configuration of natural products still faces many challenges, especially the active pharmaceutical ingredient which is trace, oily and novel structures. Currently, NMR requires chiral reagents in determining the absolute configuration; ECD involves theoretical calculations and requires chromophores. In this study, the absolute configuration of asarinin had successfully identified by using synchrotron radiation with crystalline sponge method and combining MS with NMR. This method could identifying the crystal structure of trace amorphous substances, resolving the problem of absolute configuration of multi-chiral central compounds, and hopefully providing a new idea and approach for structural elucidation of natural products.
天然产物的绝对构型的确定仍然面临许多挑战,特别是痕量、油性和新颖结构的活性药物成分。目前,NMR 需要手性试剂来确定绝对构型;ECD 涉及理论计算,需要发色团。在这项研究中,我们成功地使用同步辐射和晶体海绵方法以及结合 MS 和 NMR 来确定土木香内酯的绝对构型。该方法可以识别痕量无定形物质的晶体结构,解决多手性中心化合物的绝对构型问题,有望为天然产物的结构阐明提供新的思路和方法。