In silico Design a vaccine Candidate against Corynebacterium diphtheriae.

This study was undertaken to select and analyze epitopes of Corynebacterium diphtheriae toxin using online and offline computerized analysis methods, after that affinity of MHC epitopes to HLA-DRB۱*۰۱۰۱ was analyzed by Hex-protein protein software. The B cell epitopes were predicted via Immune Epitope Database (IEDB) and MHC class II epitopes were predicted by Vaxign softwarer. A physicochemical analysis of candidate vaccine revealed that the designed vaccine has a molecular weight of ۵۹.۰۶۲ kD. The estimated half-life of candidate vaccine was found to be greater than ۳۰ hours (mammalian reticulocytes, in vitro), greater than ۲۰ hours (yeast, in vivo), and greater than ۱۰ hours (Escherichia coli, in vivo). The instability index (II) is computed to be ۳۱.۳۱ (<۴۰), the aliphatic index was found to be ۶۵.۸۰, and the vaccine was considered stable. The grand average of hydropathicity was -۰.۵۸۰, therefore, the vaccine is a hydrophilic protein and probably it interacts with molecules of water. The result of allertop, toxinpred showed that the vaccine is non-allergenic and non-tixic. According to the obtained data from protparam and pepcalc, our designed vaccine is soluble and no transmembrane helix was projected, hence no expression difficulties are anticipated in the development of the vaccine. The membrane helices value of vaccine was ۳۳.۶۴%. The result of protein protein docking analysis showed that maximum affinity of candidate vaccine to HLA-DRB۱*۰۱۰۱ with the score of -۶۳۶.۸۵. The result of this study showed that the candidate vaccine can be stimulate HLA-DRB۱*۰۱۰۱.

کلیدواژه ها:

In silico ، Vaccine ، Corynebacterium diphtheriae ، B Cell ، T Cell