School of Pharmaceutical Sciences, South Central University for Nationalities, Wuhan, 430074, P. R. China.
Leibniz-Institut für Molekulare Pharmakologie (FMP), Robert-Roessle-Strasse 10, 13125, Berlin, Germany.
Angew Chem Int Ed Engl. 2017 Oct 9;56(42):12857-12861. doi: 10.1002/anie.201705123. Epub 2017 Sep 13.
Residual dipolar coupling (RDC) is a powerful structural parameter for the determination of the constitution, conformation, and configuration of organic molecules. Herein, we report the first liquid crystal-based orienting medium that is compatible with MeOH, thus enabling RDC acquisitions of a wide range of intermediate to polar organic molecules. The liquid crystals were produced from self-assembled oligopeptide nanotubes (AAKLVFF), which are stable at very low concentrations. The presented alignment medium is highly homogeneous, and the size of RDCs can be scaled with the concentration of the peptide. To assess the accuracy of the RDC measurement by employing this new medium, seven bioactive natural products from different classes were chosen and analyzed. The straightforward preparation of the anisotropic alignment sample will offer a versatile and robust protocol for the routine RDC measurement of natural products.
残偶极耦合 (RDC) 是确定有机分子结构、构象和构型的有力结构参数。本文报道了第一个与甲醇兼容的基于液晶的取向介质，从而能够对广泛的中等极性有机分子进行 RDC 采集。液晶由自组装的寡肽纳米管 (AAKLVFF) 制成，其在非常低的浓度下稳定。所提出的取向介质具有高度均一性，并且 RDC 的大小可以与肽的浓度成比例。为了评估通过使用这种新介质进行 RDC 测量的准确性，选择并分析了来自不同类别的七种生物活性天然产物。各向异性取向样品的简单制备将为天然产物的常规 RDC 测量提供一种通用且稳健的方案。
