Insights into the Reaction Mechanism of Soluble Epoxide Hydrolase from Theoretical Active Site Mutants

2006 ◽  
Vol 110 (42) ◽  
pp. 21299-21310 ◽  
Author(s):  
Kathrin H. Hopmann ◽  
Fahmi Himo

Biomolecules ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 180
Author(s):  
Jang Hoon Kim ◽  
Chang Hyun Jin

Three flavonoids derived from the leaves of Capsicum chinense Jacq. were identified as chrysoeriol (1), luteolin-7-O-glucopyranoside (2), and isorhamnetin-7-O-glucopyranoside (3). They had IC50 values of 11.6±2.9, 14.4±1.5, and 42.7±3.5 µg/mL against soluble epoxide hydrolase (sEH), respectively. The three inhibitors (1–3) were found to non-competitively bind into the allosteric site of the enzyme with Ki values of 10.5 ± 3.2, 11.9 ± 2.8 and 38.0 ± 4.1 µg/mL, respectively. The potential inhibitors 1 and 2 were located at the left edge ofa U-tube shape that contained the enzyme active site. Additionally, we observed changes in several factors involved in the binding of these complexes under 300 K and 1 bar. Finally, it was confirmed that each inhibitor, 1 and 2, could be complexed with sEH by the “induced fit” and “lock-and-key” models.



2017 ◽  
Vol 613 ◽  
pp. 1-11 ◽  
Author(s):  
Kin Sing Stephen Lee ◽  
Niel M. Henriksen ◽  
Connie J. Ng ◽  
Jun Yang ◽  
Weitao Jia ◽  
...  






Sign in / Sign up

Export Citation Format

Share Document