Autor(es): Hasan Md Anayet, Khan Md Arif, Datta Amit, Mazumder Md Habibul Hasan, Hossain Mohammad Uzzal

Resumo: Recent concerning facts of Chikungunya virus (CHIKV); a Togaviridae family alphavirus has proved this as a worldwide emerging threat which causes Chikungunya fever - devitalizing arthritis. Despite severe outbreaks - lack of antiviral drug, a mere progress has been made regarding to an epitope-based vaccine designed for CHIKV. In this study, we aimed to design an epitope-based vaccine that can trigger a significant immune response as well as to prognosticate inhibitor that can bind with potential drug target sites by using various immunoinformatics - docking simulation tools. Initially, whole proteome of CHIKV was retrieved from database - perused to identify the most immunogenic protein. Structural properties of the selected protein were analyzed. The capacity to induce both humoral - cell-mediated immunity by T cell - B cell were checked for the selected protein. The peptide region spanning 9 amino acids from 397 to 405 - the sequence YYYELYPTM were found as the most potential B cell - T cell epitopes respectively. This peptide could interact with as many as 19 HLAs - showed high population coverage ranging from 69.50% to 84.94%. By using in silico docking techniques the epitope was further assessed for binding against HLA molecules to verify the binding cleft interaction. In addition with this, the allergenicity of the epitopes was also evaluated. In the post therapeutic strategy, three dimensional structure was predicted along with validation - verification that resulted in molecular docking study to identify the potential drug binding sites - suitable therapeutic inhibitor against targeted protein. Finally, pharmacophore study was also performed in quest of seeing potent drug activity. However, this computational epitope-based peptide vaccine designing - target site prediction against CHIKV opens up a new horizon which may be the prospective way in Chikungunya virus research; the results require validation by in vitro - in vivo experiments.

Palavras-Chave: Chikungunya virus; HLA; Inhibitor; Pharmacophore study; Vaccine

Imprenta: Molecular Immunology, v. 65, n. 1, p. 189-204, 2015

Identificador do objeto digital: 10.1016/j.molimm.2014.12.013

Descritores: Chikungunya virus - Cell ; Chikungunya virus - Immune response ; Chikungunya virus - Molecular structure ; Chikungunya virus - Pathogenesis ; Chikungunya virus - Proteins ; Chikungunya virus - Proteome ; Chikungunya virus - Antibodies ; Chikungunya virus - Immune response ; Chikungunya virus - T lymphocytes ; Chikungunya virus - Viral infections ; Chikungunya Virus - Virus ; Chikungunya virus - Vaccine ; Chikungunya virus - Chikungunya fever ; Chikungunya virus - Immunology

Data de publicação: 2015

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