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Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Articles in this Issue were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence. Articles are hosted by MDPI on as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).
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Sci. Pharm. 2009, 77(Posters (PO)), 204; (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
PDF [201 KB, uploaded 12 May 2017]


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].
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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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.

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