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Molecular similarity of MDR inhibitors

Zloh, M; Gibbons, S; (2004) Molecular similarity of MDR inhibitors. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES , 5 (2) 37 - 47. 10.3390/i5020037. Green open access

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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
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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