Table 1.

Predicted (pKi_POLSCORE) parameters for P-gp selected inhibitors calculated from POLSCORE functions

Compound	Rank	pKiPOLSCORE	HC	VdW	DE
GF120918	8	9.09	1261.77	−976.08	12.5
Itraconazole	224	7.92	1179.65	−1046.45	17.5
Ketoconazole	150	8.59	1193.98	−872.73	10.0
Astemizole	96	8.09	1050.91	−789.02	8.0
Quinidine	516	7.49	965.38	−640.29	9.5
Verapamil	1104	7.42	940.09	−747.46	11.5

Abbreviations: DE, deformation effect; HC, hydrophobic contact; P-gp, P-glycoprotein; pKi, negative decimal logarithm of inhibition constant; POLSCORE, polynomial empirical scoring; VdW, Van der Waals forces (energy).