Identification of yeast -glucosidase inhibitors from by ligand fishing based on magnetic mesoporous silicon combined with knock-out/knock-in technology.

In this study, a ligand fishing technique based on magnetic mesoporous silicon was established and used to screen -glucosidase inhibitors from . To clarify quantity-activity relationships in a holistic view, the knock-out/knock-in technology was used to analyse the interactions of several active constituents in . Magnetic mesoporous silicon with a large specific surface area and better biocompatibility was synthesised. Subsequently, -glucosidase was immobilised on -NH-modified magnetic mesoporous silicon, and the compounds in the crude extract of were screened across enzyme binding. The structures of the ligands were elucidated using UPLC-Q-TOF-MS/MS, and their activities were verified by knock-out/knock-in experiments and molecular docking. Daidzein and puerarin showed -glucosidase inhibitory activities with an IC of 0.088 ± 0.003 mg mL and 0.414 ± 0.005 mg mL, respectively. Among them, puerarin, which accounted for more than 40% of the total content, showed synergistic effects with other components and was the main contributor to the -glucosidase inhibitory activity of .