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

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.

journal_name

Antiviral Res

journal_title

Antiviral research

authors

Cancellieri M,Bassetto M,Widjaja I,van Kuppeveld F,de Haan CA,Brancale A

doi

10.1016/j.antiviral.2015.08.003

subject

Has Abstract

pub_date

2015-10-01 00:00:00

pages

46-50

eissn

0166-3542

issn

1872-9096

pii

S0166-3542(15)00189-8

journal_volume

122

pub_type

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