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Sci. Pharm. 2009, 77(Posters (PO)), 204; https://doi.org/10.3797/scipharm.oephg.21.PO-05 (registering DOI)
Ligand Docking of Propafenones into a Homology Model of ABCB1
Department of Medicinal Chemistry, University of Vienna, Althanstraße 14, 1090, Vienna, Austria
Institute of Medical Chemistry, Medical University of Vienna, Währinger Straße 10, 1090, Vienna, Austria
Department of Health and Environment, Austrian Research Centers GmbH, 2444 Seibersdorf, Austria
Author to whom correspondence should be addressed.
Received: 16 April 2009 / Accepted: 16 April 2009 / Published: 16 April 2009
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Abstract The human ATP-binding cassette transporter ABCB1 (P-glycoprotein, P-gp, MDR1), which is strongly related to multidrug resistance, is known for its high polyspecificity, thus binding a large number of structurally diverse molecules. The molecular basis of this polyspecificity in terms of binding site(s) is still not resolved and proposals range from a huge binding zone to up to seven distinct drug binding sites that are partly overlapping. Nevertheless, mutagenesis studies and photoaffinity labeling showed that transmembrane (TM) helices 1, 3, 11 and 12, as well as 5, 6, 7 and 8 are involved in ligand binding [1, 2].
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KLEPSCH, F.; CHIBA, P.; STOCKNER, T.; ECKER, G.F. Ligand Docking of Propafenones into a Homology Model of ABCB1. Sci. Pharm. 2009, 77, 204.
KLEPSCH F, CHIBA P, STOCKNER T, ECKER GF. Ligand Docking of Propafenones into a Homology Model of ABCB1. Scientia Pharmaceutica. 2009; 77(Posters (PO)):204.
KLEPSCH, F.; CHIBA, P.; STOCKNER, T.; ECKER, G. F. 2009. "Ligand Docking of Propafenones into a Homology Model of ABCB1." Sci. Pharm. 77, Posters (PO): 204.
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