Table 5 The docking results of top-ranked 5 compounds towards REV-ERBα
Compound | Docking score (kcal/mol) | H-Bond interactions | Hydrophobic interactions |
|---|---|---|---|
Euchrenone | − 8.1 | LYS605 | VAL447, VAL451, LYS473, LEU607, PHE609 |
Daidzein-4,7-diglucoside | − 8.0 | ARG461, GLN465, GLN468, LYS473, GLU604 | VAL451, VAL469, LEU472, LYS473 |
Kanzonol B | − 7.5 | SER603 | VAL447, LEU606, LEU607, PHE609 |
glyasperin F | − 7.3 | LYS605 | VAL447, LEU607 |
oroxylin a | − 7.1 | LEU472, PHE477 | VAL447, LEU607 |