From: A computational study of the inhibition mechanisms of P-glycoprotein mediated paclitaxel efflux by kinase inhibitors
Drug
Predicted Binding Affinity (kcal/mol)
Partition coefficienta
Estimated Membrane Binding Affinity (kcal/mol)
Nilotinib
−11.1
25,704
−4.85
Imatinib
−10.3
23,988
−4.09
Dasatinib
−8.8
6606
−3.38
Paclitaxel
−10.9
3467
−5.88