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Issue 3, 2011
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Scaffold-hopping from aminoglycosides to small synthetic inhibitors of bacterial protein biosynthesis using a pseudoreceptor model

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Abstract

Virtual screening was used to find replacements for aminoglycoside antibiotics that are able to block in vitrotranscription and translation. A pseudoreceptor model retrieved potent vanilloid derivatives as sugar-mimics. These bioactive antibiotic agents were retrieved by a two-step virtual screening process. ‘Fuzzy’ pharmacophore models allowed for finding alternative chemotypes with lower structural complexity and greater synthetic accessibility than the query.

Graphical abstract: Scaffold-hopping from aminoglycosides to small synthetic inhibitors of bacterial protein biosynthesis using a pseudoreceptor model

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Publication details

The article was received on 07 Nov 2010, accepted on 25 Nov 2010 and first published on 10 Jan 2011


Article type: Concise Article
DOI: 10.1039/C0MD00207K
Med. Chem. Commun., 2011,2, 181-184

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    Scaffold-hopping from aminoglycosides to small synthetic inhibitors of bacterial protein biosynthesis using a pseudoreceptor model

    D. A. Urbanek, E. Proschak, Y. Tanrikulu, S. Becker, M. Karas and G. Schneider, Med. Chem. Commun., 2011, 2, 181
    DOI: 10.1039/C0MD00207K

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