Experimental Center, Shandong University of Traditional Chinese Medicine, Jinan 250355, China; School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan 250355, China.
School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan 250355, China.
J Chromatogr B Analyt Technol Biomed Life Sci. 2022 Oct 1;1208:123398. doi: 10.1016/j.jchromb.2022.123398. Epub 2022 Jul 28.
Traditional Chinese medicine is a rich source of natural products and has a long history of use because of its remarkable clinical efficacy. In the present study, the chemical constitutes of Angelica pubescens were studied by ultra high performance liquid chromatography and high-resolution Orbitrap mass spectrometry (UPLC-HR-Orbitrap-MS). A total of 78 compounds were identified and the main composition were coumarins and phenolic acids. Then, the neuraminidase was incubated with extract of Angelica pubescens to screen the neuraminidase inhibitors by affinity ultrafiltration methods. As a result, 13 small molecules were discovered to interact with neuraminidase for the first time. In vitro neuraminidase inhibitory activity of the screened compounds and extract of Angelica pubescens was tested, and isochlorogenic acid C, isochlorogenic acid B, osthole, chlorogenic acid, xanthotoxin, phellopterin and imperatorin were proved to have this activity. In addition, molecular docking analysis was conducted to predict the potential docking position. This study may provide a reference for the medical substance basis in Angelica and the clinical usage of this drug.
中药是天然产物的丰富来源，具有显著的临床疗效，因此有着悠久的使用历史。在本研究中，采用超高效液相色谱和高分辨率轨道阱质谱（UPLC-HR-Orbitrap-MS）研究了当归的化学成分。共鉴定出 78 种化合物，主要成分为香豆素类和酚酸类。然后，用神经氨酸酶孵育当归提取物，采用亲和超滤法筛选神经氨酸酶抑制剂。结果首次发现 13 种小分子与神经氨酸酶相互作用。对筛选出的化合物和当归提取物的体外神经氨酸酶抑制活性进行了测试，结果表明，异绿原酸 C、异绿原酸 B、蛇床子素、绿原酸、花椒毒素、补骨脂素和白芷素具有这种活性。此外，还进行了分子对接分析，以预测潜在的对接位置。本研究可为当归的药用物质基础及该药的临床应用提供参考。
