Inhibitory Activity of Quercetin 3--Arabinofuranoside and 2-Oxopomolic Acid Derived from on Soluble Epoxide Hydrolase.

Flavonoids and triterpenoids were revealed to be the potential inhibitors on soluble epoxide hydrolase (sEH). The aim of this study is to reveal sEH inhibitors from Fuji apples. A flavonoid and three triterpenoids derived from the fruit of were identified as quercetin-3--arabinoside (), ursolic acid (), corosolic acid (), and 2-oxopomolic acid (). They had half-maximal inhibitory concentration of the inhibitors (IC) values of 39.3 ± 3.4, 84.5 ± 9.5, 51.3 ± 4.9, and 11.4 ± 2.7 μM, respectively, on sEH. The inhibitors bound to allosteric sites of enzymes in mixed () and noncompetitive modes (-). Molecular simulations were carried out for inhibitors and to calculate the binding force of ligands to receptors. The inhibitors bound to the left () and right () pockets next to the enzyme's active site. Based on analyses of their molecular docking and dynamics, it was shown that inhibitors and can stably bind sEH at 1 bar and 300 K. Finally, inhibitors and are promising candidates for further studies using cell-based assays and in vivo cardiovascular tests.