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Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design

Paper ID Volume ID Publish Year Pages File Format Full-Text
15340 1405 2010 9 PDF Available
Title
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design
Abstract

Pandemic (H1N1) influenza poses an imminent threat. Nations have stockpiled inhibitors of the influenza protein neuraminidase in hopes of protecting their citizens, but drug-resistant strains have already emerged, and novel therapeutics are urgently needed. In the current work, the computer program AutoGrow is used to generate novel predicted neuraminidase inhibitors. Given the great flexibility of the neuraminidase active site, protein dynamics are also incorporated into the computer-aided drug-design process. Several potential inhibitors are identified that are predicted to bind to neuraminidase better than currently approved drugs.

Keywords
Influenza; Neuraminidase; Drug design; Oseltamivir; Flu; H1N1
First Page Preview
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design
Publisher
Database: Elsevier - ScienceDirect
Journal: Computational Biology and Chemistry - Volume 34, Issue 2, April 2010, Pages 97–105
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering