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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/