In silico structure-based design and synthesis of novel anti-RSV compounds.

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ID: 95450
2015
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Abstract
Respiratory syncytial virus (RSV) is the major cause for respiratory tract disease in infants and young children. Currently, no licensed vaccine or a selective antiviral drug against RSV infections are available. Here, we describe a structure-based drug design approach that led to the synthesis of a novel series of zinc-ejecting compounds active against RSV replication. 30 compounds, sharing a common dithiocarbamate moiety, were designed and prepared to target the zinc finger motif of the M2-1 protein. A library of ∼ 12,000 small fragments was docked to explore the area surrounding the zinc ion. Among these, seven ligands were selected and used for the preparation of the new derivatives. The results reported here may help the development of a lead compound for the treatment of RSV infections.
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cancellieri2015inantiviral Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Cancellieri, Michela;Bassetto, Marcella;Widjaja, Ivy;van Kuppeveld, Frank;de Haan, Cornelis A M;Brancale, Andrea;
Journal Antiviral research
Year 2015
DOI
10.1016/j.antiviral.2015.08.003
URL
Keywords
respiratory syncytial virus antiviral structure-based virtual screening zinc-ejecting compounds

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