KD values and theoretical and measured maximal responses of atorvastatin, rosuvastatin, and CITCO binding to hCAR/hRXRα-LBD heterodimer as measured by surface plasmon resonance and by scores of ligand-based (CAR pharmacophore) and structure-based (CAR score docking) in silico calculations
Compound | KD (µM) | CAR | Maximal Response | ||
---|---|---|---|---|---|
Score Docking | Pharmacophore | Theoretical | Measured | ||
Atorvastatin | 0.225 ± 0.06 | 73.18 | 2.07 | 84 | 251 |
Rosuvastatin | 0.144 ± 0.03 | 67.09 | — | 70 | 86 |
CITCO | 0.045 ± 0.04 | 63.02 | — | 30 | 74 |