Comparative binding energy between positive controls and α-Amyrin on PPAR signaling pathway.
| Compounds | PubChem ID | Docking score (kcal mol−1) | |||||
|---|---|---|---|---|---|---|---|
| NR1H3 (PDB ID: 2ACL) | PPARA (PDB ID: 3SP6) | PPARB (PDB ID: 5U3Q) | PPARG (PDB ID: 3E00) | FABP3 (PDB ID: 5HZ9) | FABP4 (PDB ID: 3P6D) | ||
| α-Amyrin | 225688 | −9.7 | — | — | — | — | — |
| aGW3965 | 16078973 | −11.9 | — | — | — | — | — |
| α-Amyrin | 225688 | — | −7.4 | — | — | — | — |
| bClofibrate | 2796 | — | −6.4 | — | — | — | — |
| bGemfibrozil | 3463 | — | −6.3 | — | — | — | — |
| bCiprofibrate | 2763 | — | −5.4 | — | — | — | — |
| bBezafibrate | 39042 | — | −5.8 | — | — | — | — |
| bFenofibrate | 3339 | — | −5.4 | — | — | — | — |
| α-Amyrin | 225688 | — | — | −8.5 | — | — | — |
| cCardarine | 9803963 | — | — | −8.5 | — | — | — |
| α-Amyrin | 225688 | — | — | — | −8.4 | — | — |
| dPioglitazone | 4829 | — | — | — | −7.7 | — | — |
| dRosiglitazone | 77999 | — | — | — | −7.4 | — | — |
| dLobeglitazone | 9826451 | — | — | — | −7.3 | — | — |
a
NR1H3 agonist.
b
PPARA agonist.
c
PPARD agonist.
d
PPARG agonist.