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Online Journal of Bioinformatics©
Established 1995
ISSN 1443-2250
Volume 20(1):47-61,
2019.
Computer
aided subunit vaccine design against pathogenic Leptospira serovars.
1SVIMS
Bioinformatics Centre, Department of Bioinformatics, SVIMS University and 2Agricultural
research station, Perumallapalle, Tirupati,
AP, India
ABSTRACT
Umamaheswari A, Pradhan D,
Hemanthkumar M., Computer aided subunit vaccine
design against pathogenic Leptospira serovars, Onl J Bioinform., 20(1):47-61,
2019. Vaccine peptides from
outer membrane proteins (OMPs) common to four sequenced pathogenic Leptospira serovars through in
silico reverse vaccinology technique were identified. The OMPs were
explored for probable antigens using jemboss and
screened in ProPred subsequently to predict thirty
HLA-DRB epitopes. The HLA-DRB epitopes were validated through published
positive control epitope (HA307-PKYVKQNTLKLAT-319), SYFPEITHI and Immune
Epitope Database method to list twelve epitopes from nine OMPs as putative
subunit vaccine peptides. In order to verify vaccine peptide interaction at 3D
structural level with HLA-DRB alleles, the cation efflux system membrane
protein (czcA) which contains four subunit vaccine
peptides, was selected from the list of nine OMPs. czcA tertiary structure was predicted based on the
crystal structure of 2V50 using Modeller9v7. The model was evaluated through Procheck, ProSA and ProQ. The HLA-DRB alleles and czcA
3D interactions were studied using Hex
5.1. Also, the T-cell epitopes present in czcA were
docked individually with HLA-DRB alleles.
The docking result revealed that czcA and its
epitopes were interacting well with HLA-DRB alleles, hence would certainly
produce cell mediated immune response in host. Thus, czcA
and its four subunit vaccine peptides would be ideal T-cell driven efficacious vaccine
against leptospirosis.
Keywords: leptospirosis, T-cell epitope, subunit
vaccine peptides, homology modeling, protein-protein docking.