Issue 10, 2013

Insights from modelling the 3D structure of the 2013 H7N9 influenza A virus neuraminidase and its binding interactions with drugs

Abstract

Neuraminidase of the influenza virus is the target of the antibiotic drugs peramivir, oseltamivir and zanamivir. The WHO Collaborating Centre in China announced these drugs (peramivir, oseltamivir and zanamivir) to be effective to treat the 2013 H7N9 influenza virus. Herein, we report the findings of molecular simulations and computational alanine-scanning mutagenesis for peramivir, oseltamivir and zanamivir with the neuraminidase of 2013 H7N9 influenza. Our simulation results theoretically suggest that peramivir might be the best potential antiviral agent for treatment of avian influenza A (H7N9); the Asp147 and Arg367 residues are responsible for the H7N9 neuraminidase of the 2013 influenza drug selectivity.

Graphical abstract: Insights from modelling the 3D structure of the 2013 H7N9 influenza A virus neuraminidase and its binding interactions with drugs

Supplementary files

Article information

Article type
Concise Article
Submitted
03 May 2013
Accepted
22 Jul 2013
First published
31 Jul 2013

Med. Chem. Commun., 2013,4, 1370-1375

Insights from modelling the 3D structure of the 2013 H7N9 influenza A virus neuraminidase and its binding interactions with drugs

Y. Wang, Med. Chem. Commun., 2013, 4, 1370 DOI: 10.1039/C3MD00126A

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