Selecting and Characterizing Tyrosinase Inhibitors from Atractylodis macrocephalae Rhizoma Based on Spectrum-Activity Relationship and Molecular Docking.

Atractylodis macrocephalae Rhizoma (AMR) is a famous classical Chinese traditional medicine (CTM), which has been used as a tonic for many diseases for thousands of years. In ancient China, it was used as a supplementary food for beauty in the palace. In preliminary studies, the function of whitening skin and the significant inhibiting effect on tyrosinase (TYR) which is the reactive enzyme in the composition of melanin of AMR were discovered, and the relevant research was rarely reported. In this study, high-performance liquid chromatography (HPLC) along with partial least squares regression analysis (PLS) was applied to survey the coherence between the chemical constituents and the inhibiting activity of 11 batches of AMR on TYR activity. The results of PLS showed that the chromatographic peaks 11 (atractylenolide III) and 15 could be important effective ingredients of the inhibition TYR activity as ascertained by spectrum-activity relationships. Furthermore, TYR inhibitory activity of atractylenolide III was validated by in vitro test by ß-arbutin served as a positive control drug. The results of the in vitro test and the molecular docking showed that atractylenolide III has high TYR inhibitory activity and could link to the residues in TYR catalytic pocket. Therefore, bioassay, molecular docking, and spectrum-activity relationships are appropriate for linking the quality of samples with pharmaceutical-related active ingredients. And our studying would lay a theoretical foundation for applying the water extracts of AMR in whitening cosmetics.

Phytochemistry and biological properties of isoprenoid flavonoids from Sophora flavescens Ait.

Sophora flavescens Ait (Ku-Shen in Chinese) is a popular traditional Chinese herbal medicine in China for a long history. It shows significant pharmacological activities in the treatment of dysentery, eczema, fever, jaundice, vulvar swelling, gastrointestinal hemorrhage and inflammatory disorders. Alkaloids and flavonoids have been identified as virtual components, especially isoprenoid flavanonols are a class of characteristic compounds for S. flavescens. However, few studies have focused on isoprenoid flavonoids analyses and no comprehensive review has yet been published. In the current review, we systematically summarized the isoprenoid flavonoids, a total of 55 compounds have been isolated from S. flavescens, particularly an isoprenyl and a lavandulyl group in backbone structures. Further pharmacological activities, qualitative and quantitative chemical analyses research will contribute to the development of natural isoprenoid flavonoid products in S. flavescens.