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Sci. Pharm.
Volume 77
Issue 7
10.3797/scipharm.oephg.21.PO-05
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Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Previous articles were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence, and they are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).
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Abstract

Ligand Docking of Propafenones into a Homology Model of ABCB1

by
F. KLEPSCH
1,*,
P. CHIBA
2,
T. STOCKNER
3 and
G. F. ECKER
1
1
Department of Medicinal Chemistry, University of Vienna, Althanstraße 14, 1090, Vienna, Austria
2
Institute of Medical Chemistry, Medical University of Vienna, Währinger Straße 10, 1090, Vienna, Austria
3
Department of Health and Environment, Austrian Research Centers GmbH, 2444 Seibersdorf, Austria
*
Author to whom correspondence should be addressed.
Sci. Pharm. 2009, 77(7), 204; https://doi.org/10.3797/scipharm.oephg.21.PO-05
Submission received: 16 April 2009 / Accepted: 16 April 2009 / Published: 16 April 2009
Versions Notes

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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MDPI and ACS Style

KLEPSCH, F.; CHIBA, P.; STOCKNER, T.; ECKER, G.F. Ligand Docking of Propafenones into a Homology Model of ABCB1. Sci. Pharm. 2009, 77, 204. https://doi.org/10.3797/scipharm.oephg.21.PO-05

AMA Style

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. https://doi.org/10.3797/scipharm.oephg.21.PO-05

Chicago/Turabian Style

KLEPSCH, F., P. CHIBA, T. STOCKNER, and G. F. ECKER. 2009. "Ligand Docking of Propafenones into a Homology Model of ABCB1" Scientia Pharmaceutica 77, Posters (PO): 204. https://doi.org/10.3797/scipharm.oephg.21.PO-05

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