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Proceedings of the 9th Electronic Computational Chemistry Conference
Int. J. Mol. Sci. 2004, 5(2), 37-47; doi:10.3390/i5020037

Molecular Similarity of MDR Inhibitors

1,*  and 2
Received: 10 April 2003 / Accepted: 31 August 2003 / Published: 30 January 2004
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The molecular similarity of multidrug resistance (MDR) inhibitors was evaluated using the point centred atom charge approach in an attempt to find some common features of structurally unrelated inhibitors. A series of inhibitors of bacterial MDR were studied and there is a high similarity between these in terms of their shape, presence and orientation of aromatic ring moieties. A comparison of the lipophilic properties of these molecules has also been conducted suggesting that this factor is important in MDR inhibition.
Keywords: MDR; multidrug resistance; inhibitor; molecular similarity; SAR; ab initio MDR; multidrug resistance; inhibitor; molecular similarity; SAR; ab initio
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Zloh, M.; Gibbons, S. Molecular Similarity of MDR Inhibitors. Int. J. Mol. Sci. 2004, 5, 37-47.

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Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert