Discovery of undescribed schinortriterpenoids from Schisandra chinensis by molecular networking and their
Peng Jiang1, Yu-Meng Luo1, Xin-Yuan Li1
1Key Laboratory of Basic and Application Research of Beiyao, Heilongjiang University of Chinese Medicine, Harbin, 150040, China; Traditional Chinese Medicine Biological Genetics, Heilongjiang Province Double First-Class Construction Interdiscipline, Harbin, 150040, China.
Abstract:
The dried, ripe fruit of Schisandra chinensis (Turcz.) Baill has significant nutritional as well as medicinal value and has been used in traditional Chinese medicine for centuries. Schinortriterpenoids (SNTs) are a distinct class of highly oxygenated and rearranged terpenoids exclusively derived from plants belonging to the Schisandraceae family. In this study, nine previously undescribed (1-9) and 20 known SNTs (10-29) were isolated from a Schisandra chinensis extract using the molecular networking technique. The structures of these compounds were elucidated using NMR, HR-ESI-MS, X-ray diffraction analysis, and quantum chemical calculations. Compounds 8, 11, 16, 18, and 24 exhibited significant anti-neuroinflammatory activity in LPS-stimulated microglial BV-2 cells, with IC50 values of 3.28 ± 0.86, 0.63 ± 0.32, 1.57 ± 0.27, 1.55 ± 0.50, and 1.86 ± 0.41 μM, respectively. Notably, the anti-neuroinflammatory activity of compound 11 was associated with the inhibition of the TLR4/NF-κB/NLRP3 signalling pathway.
