Coumarins as Modulators of the Keap1/Nrf2/ARE Signaling Pathway

Table 3

Molecular docking of coumarin derivatives as potential inhibitors of Keap1.

Compounds	Lowest energy of docking (kcal/mol)
IMP
Visnagin
Urolithin B
Urolithin A
Scopoletin
Daphnetin
Esculin
Esculetin
UMB
Fraxetin
Fraxin
Anomalin
Wedelolactone
Glycycoumarin
Osthole
Hydrangenol
Isoimperatorin
Standard (S,R,S)

(S,R,S) is a synthetic compound that crystalized with Keap1 with high affinity (PDB ID: 4l7b) and is used as a standard control for comparison.