Affinity ultrafiltration and UPLC-HR-Orbitrap-MS based screening of neuraminidase inhibitors from Angelica pubescens.

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.

Simultaneous Determination and Comprehensive Evaluation of Mineral Elements in Yellow Croaker Ear-Stone on Sale in China.

Yellow Croaker Ear-stone or Yunaoshi, is actually two kinds of fish otolith in China and has received increased attention in recent years as important folk medicine. For better understanding of this crude drug, a chaotic market circulation status investigation was carried out and seventeen samples with different varieties or producing areas were collected. In this study, pharmacodynamic components of nineteen varieties mineral elements of the seventeen samples were simultaneously determined by Inductively coupled plasma mass spectrometry (ICP-MS) method. The detected elements were categorized into the beneficial (Na, Mg, Ca, K, Fe, Mn, Zn, Sr, B) and unbeneficial elements (Cu, As, Cd, Hg, Al, Pb, Co, Ba, Cr and Ni) kinds and their concentrations were quantified. Then the principal component analysis (PCA) and hierarchical clustering analysis (HCA) were further applied to launch an exploratory analysis for Yunaoshi samples. The results showed that samples 1-3, 15-8, 15-3 ranked the top three from the perspective of beneficial elements and samples 1-3, 1-4, 15-2 ranked the top three based on the unbeneficial elements sides. Combined with HCA results, all samples can be used as the substitutes for Yunaoshi except for samples 1-3, 1-4 and 15-2 only judging from the perspective of mineral elements concentrations. In conclusion, simultaneous determination of mineral elements accompanied with PCA and HCA can not only provide pharmacogenetic reference for the medicinal material of Yunaoshi, but also establish a feasibility for exploring new crude resources or substitutes to this medicine.