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In Silico Analysis of Outer Membrane Protein 31 of Brucella Spp. to Identify and Characterize the Potential T Cell Epitope

Abul Kalam Azad 1, Md. Mahbub Hasan 1, Md. Saddam Hossain 1, Mohammad Rejaur Rahman 1, and Parveen Afroz Chowdhury 2
1 Department of Genetic Engineering & Biotechnology, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh.
2 Department of Dermatology, Sylhet Woman¡¯s Medical College, Sylhet, Bangladesh.
Abstract—Human vaccines for brucellosis are still not licensed and in some cases, animal vaccines are used for humans. We herein conducted a study to identify and characterize a suitable T cell epitope, which might be efficient against Brucella spp. We have assessed all the antigenic outer membrane proteins of Brucella spp recorded to date in Protegen (http://www.violinet.org/protegen/ index.php) database and found that outer membrane protein (Omp31) of Brucella melitensis M28 was superior among all others. Analysis of Omp31 of Brucella melitensis M28 with NetMHCII 2.2, SYFPEITHI, ProPred and NetCTL 1.2 servers for identification of T cell epitope predicted an epitope 125-VRARLGYTATERLMV-139. These four servers also predicted that the epitope could bind with at least 6 major histocompatibility complex class-II (MHC II) and 5 MHC I molecules. The epitope shared ~86.93% identity with Omp31 of all human antigenic Brucella spp. Analysis with different bioinformatics tools revealed that this epitope was highly stable and capable to induce T cell-mediated immunity. Finally, molecular docking simulation showed that it could bind with the binding groove of MHC II and MHC I molecules with numerous significant hydrogen bonds. Results reported herein indicate that 125-VRARLGYTATERLMV-139 might be the target for epitope-based vaccine in humans against brucellosis.

Index Terms—Adhesin, Brucella , Brucellosis, Epitope, Molecular docking, Outer membrane protein 31

Cite: Abul Kalam Azad, Md. Mahbub Hasan, Md. Saddam Hossain, Mohammad Rejaur Rahman, and Parveen Afroz Chowdhury, "In Silico Analysis of Outer Membrane Protein 31 of Brucella Spp. to Identify and Characterize the Potential T Cell Epitope," International Journal of Pharma Medicine and Biological Sciences, Vol. 2, No. 3, pp. 28-45, July 2013.
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