Issue 3, 2011
From the journal:

MedChemComm

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

Dorota A. Urbanek,a   Ewgenij Proschak,a   Yusuf Tanrikulu,b   Steffi Becker,c   Michael Karasa  and  Gisbert Schneider*d  

* Corresponding authors

a Goethe-University, Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Max-von-Laue Str. 7, Frankfurt, Germany

b F.Hoffmann-La Roche Inc., 340 Kingsland Street, Bldg 76/12S12, Nutley, U.S.A

c S. Becker, Goethe-University, Institute of Organic Chemistry and Chemical Biology, Siesmayerstr. 70, Frankfurt, Germany

d Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, Zürich, Switzerland
E-mail: gisbert.schneider@pharma.ethz.ch
Fax: (+)41 44 633 13 79

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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Article information

DOI
https://doi.org/10.1039/C0MD00207K
Article type
Concise Article
Submitted
07 Nov 2010
Accepted
25 Nov 2010
First published
10 Jan 2011

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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