Molecular similarity of MDR inhibitors

Zloh, Mire and Gibbons, S. (2004) Molecular similarity of MDR inhibitors. pp. 37-47. ISSN 1661-6596
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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.

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