title: Molecular modeling and in-silico engineering of Cardamom mosaic virus coat protein for the presentation of immunogenic epitopes of Leptospira LipL32.
abstract: Expression of Cardamom mosaic virus (CdMV) coat protein (CP) in E. coli forms virus-like particles. In this study, the structure of CdMV CP was predicted and used as a platform to display epitopes of the most abundant surface-associated protein, LipL32 of Leptospira at C, N, and both the termini of CdMV CP. In silico, we have mapped sequential and conformational B-cell epitopes from the crystal structure of LipL32 of Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 using IEDB Elipro, ABCpred, BCPRED, and VaxiJen servers. Our results show that the epitopes displayed at the N-terminus of CdMV CP are promising vaccine candidates as compared to those displayed at the C-terminus or at both the termini. LipL32 epitopes, EP2, EP3, EP4, and EP6 are found to be promising B-cell epitopes for vaccine development. Based on the type of amino acids, length, surface accessibility, and docking energy with CdMV CP model, the order of antigenicity of the LipL32 epitopes was found to be EP4 > EP3 > EP2 > EP6.
authors.affiliation: a School of Biological Sciences , Madurai Kamaraj University , Madurai 625021 , Tamil Nadu , India.
authors.forename: Vikram
authors.initials: V
authors.lastname: Kumar
authors.affiliation: b School of Biotechnology , Madurai Kamaraj University , Madurai 625021 , Tamil Nadu , India.
authors.forename: S
authors.initials: S
authors.lastname: Damodharan
authors.affiliation: b School of Biotechnology , Madurai Kamaraj University , Madurai 625021 , Tamil Nadu , India.
authors.forename: Eswari P J
authors.initials: EP
authors.lastname: Pandaranayaka
authors.affiliation: c Regional Medical Research Centre (ICMR) , Post Bag No-13, Port Blair 744101 , Andaman and Nicobar Islands , India.
authors.forename: Madanan G
authors.initials: MG
authors.lastname: Madathiparambil
authors.affiliation: a School of Biological Sciences , Madurai Kamaraj University , Madurai 625021 , Tamil Nadu , India.
authors.forename: Jebasingh
authors.initials: J
authors.lastname: Tennyson
mesh_terms: D001425:Bacterial Outer Membrane Proteins / Q000737:chemistry* / Q000276:immunology; D036022:Capsid Proteins / Q000737:chemistry* / Q000276:immunology; D003198:Computer Simulation; D028523:Elettaria / Q000821:virology; D000939:Epitopes / Q000737:chemistry / Q000276:immunology*; D006801:Humans; D007919:Leptospira / Q000737:chemistry / Q000276:immunology; D007922:Leptospirosis / Q000276:immunology*; D008074:Lipoproteins / Q000737:chemistry* / Q000276:immunology; D008958:Models, Molecular; D009029:Mosaic Viruses / Q000737:chemistry / Q000276:immunology; D014612:Vaccines / Q000737:chemistry / Q000276:immunology*
chemical_list: D001425:Bacterial Outer Membrane Proteins; D036022:Capsid Proteins; D000939:Epitopes; C406589:LipL32 protein, Leptospira; D008074:Lipoproteins; D014612:Vaccines
keywords: B-cell epitope; Cardamom mosaic virus; Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130; LipL32; ab initio method