Development of modulators of multidrug resistance: A pharmacoinformatic approach
G. F. Ecker and P. Chiba
Department of Pharmaceutical Chemistry, University
of Vienna, Althanstrasse 14, 1090 Wien, Austria; Department of Medical
Chemistry, Medical University of Vienna, Waehringer Strasse 10, 1090
Wien, Austria
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.
*Lecture presented at the Polish-Austrian-German-Hungarian-Italian Joint Meeting on Medicinal Chemistry, Krak�w, Poland, 15-18 October 2003. Other presentations are published in this issue, pp. 907 -1032.
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