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 Online Journal of Bioinformatics  

  Volume 15 (1): 1-34, 2014.

A novel strategy of In silico peptide vaccine design for Streptococcus mutans.


Brittany Bower and Anton Dormer MD MS.*


Washington Adventist University, 7600 Flower Avenue, Takoma Park, Maryland 20912 (301) 891-4229, USA *Corresponding author




Bower B, Dormer A., A novel In silico peptide vaccine design for Streptococcus mutans, Onl J Bioinform  15(1):1-34, 2014. Several attempts have been made towards the development of a viable vaccine for Streptococcus mutans (S. Mutans). This Gram positive bacterium is found within the oral cavity of humans and is a main inducer of dental caries.  The objective of this study is to identify potential peptide vaccine candidates targeted to treat a primary cause of dental caries. The hypothesis is that through the use of In silico tools, T-cell restricted epitopes targeted to S. Mutans can be recognized as potentials for therapeutic development. The novel approach adapted for this study includes the use of predicted algorithms, QSAR, and protein fold level simulation analysis in order to identify B-cell and T-cell peptide vaccine candidates from S. Mutans glucosyltransferase D (GtfD) protein structure: a key enzyme  dental caries pathogenesis.  One B-cell (EDDKAASESSQTDAPKTKQA) (20-mer) and five B-cell epitope originated T-cell restricted epitopes to MHC Class I HLA-A*0201 (GQDMKITYV)(9-mer), -A*0204 (QIDGKYYYI)(9-mer), -B*2705 (KRYFDDGSG)(9-mer), and MHC Class II HLA-DRB1*0101 (NNWYYFGSDGVAVTG)(15-mer), and -DRB1*0401 (KIETKISQTQQTQWL)(15-mer) were identified. The MHC Class I and Class II restricted peptides predicted in this study would stimulate T-cytotoxic (CD8+) and T-helper (CD4+) lymphocytes, respectively. This design could be used to stimulate CD8+, CD4+, and B-cells, all aspects of the adaptive immune system. Therefore, these restricted epitopes are designed to induce both a humoral and cellular immunological responses for use in a multi-valent vaccine. As with all epitopes selected by In silico tools In Vitro and In Vivo experimental verification will be the next step.


KEYWORDS: S. Mutans, dental caries, vaccine, enzyme GtfD.