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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
Article

Molecular Similarity of MDR Inhibitors

1,*  and 2
Received: 10 April 2003; Accepted: 31 August 2003 / Published: 30 January 2004
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Abstract: 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
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.

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MDPI and ACS Style

Zloh, M.; Gibbons, S. Molecular Similarity of MDR Inhibitors. Int. J. Mol. Sci. 2004, 5, 37-47.

AMA Style

Zloh M, Gibbons S. Molecular Similarity of MDR Inhibitors. International Journal of Molecular Sciences. 2004; 5(2):37-47.

Chicago/Turabian Style

Zloh, Mire; Gibbons, Simon. 2004. "Molecular Similarity of MDR Inhibitors." Int. J. Mol. Sci. 5, no. 2: 37-47.


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