化学
神经氨酸酶
轨道轨道
欧前胡素
色谱法
绿原酸
植物化学
扎那米韦
超滤(肾)
高效液相色谱法
质谱法
生物化学
酶
传染病(医学专业)
疾病
病理
医学
2019年冠状病毒病(COVID-19)
作者
Zhenhua Tian,Luping Sun,Bingqing Chi,Zhen Du,Xiumei Zhang,Yuecheng Liu,Honglei Zhou
标识
DOI:10.1016/j.jchromb.2022.123398
摘要
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.
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