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Online Journal of Bioinformatics©
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
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.