Zloh, M;
Gibbons, S;
(2004)
Molecular similarity of MDR inhibitors.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
, 5
(2)
37 - 47.
10.3390/i5020037.
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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.
| Type: | Article |
|---|---|
| Title: | Molecular similarity of MDR inhibitors |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.3390/i5020037 |
| Publisher version: | http://www.mdpi.com/1422-0067/5/2/37 |
| Language: | English |
| Additional information: | Article published under a Creative Commons Attribution License http://creativecommons.org/licenses/by/3.0/ |
| Keywords: | MDR, multidrug resistance, inhibitor, molecular similarity, SAR, ab initio |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1351778 |
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