Preprint Article Version 1 This version is not peer-reviewed

In Silico Epitope-Based Peptide Vaccine Design against Invasive Non Typhoidal Salmonella (iNTS) Through Immunoinformatic Approaches

Version 1 : Received: 24 February 2020 / Approved: 26 February 2020 / Online: 26 February 2020 (01:56:41 CET)

How to cite: Ali, M.C.; Jahan, S.I.; Khatun, M.S.; Das, R.; Rahman, M.M.; Dash, R. In Silico Epitope-Based Peptide Vaccine Design against Invasive Non Typhoidal Salmonella (iNTS) Through Immunoinformatic Approaches. Preprints 2020, 2020020383 (doi: 10.20944/preprints202002.0383.v1). Ali, M.C.; Jahan, S.I.; Khatun, M.S.; Das, R.; Rahman, M.M.; Dash, R. In Silico Epitope-Based Peptide Vaccine Design against Invasive Non Typhoidal Salmonella (iNTS) Through Immunoinformatic Approaches. Preprints 2020, 2020020383 (doi: 10.20944/preprints202002.0383.v1).

Abstract

Salmonella, especially invasive non-typhoidal Salmonella (iNTS) are responsible for developing various invasive diseases, and possess higher mortality rate, due to their higher antibiotic resistance profile than the other bacteria. Therefore, the present study was concerned to develop epitope based peptide vaccine against iNTS species as a successive and substitute protective measures. The study considered comprehensive Immunoinformatic approaches, followed by molecular docking and molecular dynamics simulation to predict the efficient vaccine candidate T cell and B cell epitopes, based on the outer membrane proteins. The study identified two best epitopes YGIFAITAL and KVLYGIFAI from total iNTS outer membrane proteins, which showed higher immunity, non-allergenicity, non-toxicity and also showed higher conservancy and population coverage values. Both epitopes showed higher binding affinity and stability towards HLA-C* 03:03. The MM-PBSA binding free energy showed the YGIFAITAL epitope binds more tightly with both MHC-I and MHC-II molecules. The total contact, H-bond analysis and RMSF results also validate the efficiency of these epitopes as vaccine candidate. The projected B cell epitopes AAPVQVGEAAGS, TGGGDGSNT and TGGGDGSNTGTTTT showed higher antigenicity. Overall, the study concluded that these epitopes can be considered as the potential vaccine candidate to make a successive vaccine against iNTS species. However, this result further needs to be validate by wet lab research to make successive vaccine with these projected epitopes.

Subject Areas

Salmonella; antibiotic resistance; immunoinformatic; epitope; molecular docking; molecular dynamics simulation

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