TABLE 1

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

CompoundKD (µM)CARMaximal Response
Score DockingPharmacophoreTheoreticalMeasured
Atorvastatin0.225 ± 0.0673.182.0784251
Rosuvastatin0.144 ± 0.0367.097086
CITCO0.045 ± 0.0463.023074