New α-Glucosidase Inhibitors from the Whole Plant of Hypericum beaniiBased on Ligand Fishing and Molecular Networking Analysis

Autor: Hu, Rui-Dan, Lin, Wei-Yao, Feng, Qian, Liu, Jinru, Chen, Yidi, Ji, Aijia, Wang, Caiyan, Cao, Liping, Zhang, Rong, Liu, Zhongqiu, Cui, Hui, Liang, Qi, Zhang, Rong-Rong
Zdroj: Journal of Agricultural and Food Chemistry; 20240101, Issue: Preprints
Abstrakt: In this work, a new rapid and targeted method for screening α-glucosidase inhibitors from Hypericum beaniiwas developed and verified. Ten new polycyclic polyprenylated acylphloroglucinols (PPAPs), hyperlagarol A–J (1–10), and nine known PPAPs (11–19) were obtained from H. beanii. Their structures were identified by using comprehensive analyses involving mass spectrometry, ultraviolet spectroscopy, infrared spectroscopy, nuclear magnetic resonance spectroscopy, and electron capture dissociation calculations. 1and 2are two new rare 2,3-seco-spirocyclic PPAPs, 3and 4are two novel 12,13-seco-spirocyclic PPAPs, 5and 6are two novel spirocyclic PPAPs, 7and 8are two new unusual spirocyclic PPAPs with complex bridged ring systems, and 9and 10are two novel nonspirocyclic PPAPs. α-GC inhibitory activities of all isolated compounds were tested. Most of them displayed inhibitory activities against α-glucosidase, with the IC50values ranging from 6.85 ± 0.65 to 112.5 ± 9.03 μM. Moreover, the inhibitory type and mechanism of the active compounds were further analyzed using kinetic studies and molecular docking.
Databáze: Supplemental Index