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Table 1 Predicted binding affinities for P-gp SBD based on docking studies

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
  1. adata were retrieved from https://www.drugbank.ca/