Molecular similarity of MDR inhibitors

Mire Zloh, Simon Gibbons

    Research output: Contribution to journalArticlepeer-review

    11 Citations (Scopus)

    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.
    Original languageEnglish
    Pages (from-to)37-47
    Number of pages11
    JournalInternational Journal of Molecular Sciences
    Volume5
    Issue number2
    DOIs
    Publication statusPublished - 30 Jan 2004

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