Computational and experimental analysis of drug binding to the Influenza M2 channel

  • Alhadeff R
  • Assa D
  • Astrahan P
 et al. 
  • 1


    Mendeley users who have this article in their library.
  • 11


    Citations of this article.


The Influenza Matrix 2 (M2) protein is the target of Amantadine and Rimantadine which block its H+ channel activity. However, the potential of these aminoadamantyls to serve as anti-flu agents is marred by the rapid resistance that the virus develops against them. Herein, using a cell based assay that we developed, we identify two new aminoadamantyl derivatives that show increased activity against otherwise resistant M2 variants. In order to understand the distinguishing binding patterns of the different blockers, we computed the potential of mean force of the drug binding process. The results reveal that the new derivatives are less mobile and bind to a larger pocket in the channel. Finally, such analyses may prove useful in designing new, more effective M2 blockers as a means of curbing influenza. This article is part of a Special Issue entitled: Viral Membrane Proteins - Channels for Cellular Networking. © 2013 Elsevier B.V.

Author-supplied keywords

  • Anti-flu agent
  • Cell based assay
  • Channel blocker
  • Potential of mean force

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document

Get full text


  • Raphael Alhadeff

  • Dror Assa

  • Peleg Astrahan

  • Miriam Krugliak

  • Isaiah T. Arkin

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free