Development of modulators of multidrug resistance: A pharmacoinformatic approach

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Abstract
Inhibition of drug efflux pumps such as P-glycoprotein represents a versatile approach for overcoming multidrug resistance in tumor therapy. Although numerous compounds have been identified as being able to inhibit P-glycoprotein, only little is known on the molecular basis of the drug–protein interaction. This article gives an overview of the different pharmacoinformatic approaches we used to develop new propafenone-type modulators of P-glycoprotein. These include 2D-and 3D-QSAR studies, artificial neural networks, and photoaffinity labeling studies.

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