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

MedChemComm
2011.0

Abstract

Virtual screening was used to find replacements for aminoglycoside antibiotics that are able to block in vitro transcription 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.

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