| Title | Triterpenoids from Kochiae Fructus: Glucose Uptake in 3T3-L1 Adipocytes and a-Glucosidase Inhibition, In Silico Molecular Docking |
| Author | Chen, Xue-Lin |
| Publication | INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES |
| Year | 2023 |
| Volume | 24 |
| Issue | 3 |
| Corresponding Author | Zhang, YM |
| Abstract | In this study, three new triterpenes (1-3) and fourteen known triterpenoids (4-17) were isolated from the ethanol extract of Kochiae Fructus, and their structures were elucidated by analyzing UV, IR, HR-ESI-MS, 1D, and 2D NMR spectroscopic data. Among them, compounds 6, 8, and 11-17 were isolated for the first time from this plant. The screening results of the glucose uptake experiment indicated that compound 13 had a potent effect on glucose uptake in 3T3-L1 adipocytes at 20 mu M. Meanwhile, compounds 3, 9 and 13 exhibited significant inhibitory activities against alpha-glucosidase, with IC50 values of 23.50 +/- 3.37, 4.29 +/- 0.52, and 16.99 +/- 2.70 mu M, respectively, and their alpha-glucosidase inhibitory activities were reported for the first time. According to the enzyme kinetics using Lineweaver-Burk and Dixon plots, we found that compounds 3, 9 and 13 were alpha-glucosidase mixed-type inhibitors with K-i values of 56.86 +/- 1.23, 48.88 +/- 0.07 and 13.63 +/- 0.42 mu M, respectively. In silico molecular docking analysis showed that compounds 3 and 13 possessed superior binding capacities with alpha-glucosidase (3A4A AutoDock score: -4.99 and -4.63 kcal/mol). Whereas compound 9 showed +2.74 kcal/mol, which indicated compound 9 exerted the effect of inhibiting alpha-glucosidase activity by preferentially binding to the enzyme-substrate complex. As a result, compounds 3, 9 and 13 could have therapeutic potentials for type 2 diabetes mellitus, due to their potent hypoglycemic activities. |
