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Effect of Molecular Structure, Substrate and Docking Scores on the Prediction of the Inhibition Constants of P-glycoprotein Inhibitors
Journal of Drug Metabolism & Toxicology
P-glycoprotein (P-gp) is a multispecific transporter which has a natural detoxification role. The inhibition of substrate transport by P-gp can be presented by a number of parameters, including percentage inhibition and IC 50 . Inhibition constant, K i , is believed to be a more universal parameter allowing easy comparison of data from different substrate conditions. The aim of this investigation was to use molecular descriptors of the inhibitors, docking scores, and the parameters of the probedoi:10.4172/2157-7609.1000217 fatcat:tt2gig2fzfc3pnkm7m7hd47q3u