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Molecules 2017, 22(4), 607; doi:10.3390/molecules22040607

Computational Identification of Antibody Epitopes on the Dengue Virus NS1 Protein

Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, St. Lucia, QLD 4072, Australia
ARC Training Centre for Biopharmaceutical Innovation, The University of Queensland, St. Lucia, QLD 4072, Australia
Computist Bio-Nanotech, 1 Dalmore Drive, Scoresby, VIC 3179, Australia
School of Chemistry and Molecular Biosciences, The University of Queensland, St. Lucia, QLD 4072, Australia
Australian Infectious Diseases Research Centre, The University of Queensland, St. Lucia, QLD 4072, Australia
School of Medical Sciences, RMIT University, P.O. Box 71, Bundoora, VIC 3083, Australia
Authors to whom correspondence should be addressed.
Academic Editor: Roberta Galeazzi
Received: 6 November 2016 / Revised: 5 April 2017 / Accepted: 6 April 2017 / Published: 10 April 2017
(This article belongs to the Special Issue Biomolecular Simulations)
View Full-Text   |   Download PDF [11964 KB, uploaded 10 April 2017]   |  


We have previously described a method to predict antigenic epitopes on proteins recognized by specific antibodies. Here we have applied this method to identify epitopes on the NS1 proteins of the four Dengue virus serotypes (DENV1–4) that are bound by a small panel of monoclonal antibodies 1H7.4, 1G5.3 and Gus2. Several epitope regions were predicted for these antibodies and these were found to reflect the experimentally observed reactivities. The known binding epitopes on DENV2 for the antibodies 1H7.4 and 1G5.3 were identified, revealing the reasons for the serotype specificity of 1H7.4 and 1G5.3, and the non-selectivity of Gus2. As DENV NS1 is critical for virus replication and a key vaccine candidate, epitope prediction will be valuable in designing appropriate vaccine control strategies. The ability to predict potential epitopes by computational methods significantly reduces the amount of experimental work required to screen peptide libraries for epitope mapping. View Full-Text
Keywords: antibody Epitopes; computational modeling; dengue virus antibody Epitopes; computational modeling; dengue virus

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Jones, M.L.; Legge, F.S.; Lebani, K.; Mahler, S.M.; Young, P.R.; Watterson, D.; Treutlein, H.R.; Zeng, J. Computational Identification of Antibody Epitopes on the Dengue Virus NS1 Protein. Molecules 2017, 22, 607.

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