Table 1.

GLIDE docking scores and binding affinities with P-gp

Compound	Glide docking score (kcal/mol)		Binding affinity
	Substrate binding site (6QEX)	Inhibitor binding site (6QEE)	ΔG (kcal/mol) (6QEE)
Paclitaxel	−10.07	−7.38	–
Rifabutin	−8.47	−6.36	−11.51
Rifampicin	−7.68	−2.73	−5.39
Zosuquidar	−7.86	−9.47	−10.67