In silico design of epitope-based peptide vaccine against non-typhoidal Salmonella through immunoinformatic approaches.

Autor: Ali MC; Department of Biotechnology & Genetic Engineering, Faculty of Biological Sciences, Islamic University, Kushtia, Bangladesh., Khatun MS; Department of Biotechnology & Genetic Engineering, Faculty of Biological Sciences, Islamic University, Kushtia, Bangladesh., Jahan SI; Department of Biotechnology & Genetic Engineering, Noakhali Science and Technology University, Noakhali, Bangladesh., Das R; Department of Physiology, Dongguk University College of Medicine, Gyeongju, Republic of Korea., Munni YA; Department of Anatomy, Dongguk University College of Medicine, Gyeongju, Republic of Korea., Rahman MM; Department of Biotechnology & Genetic Engineering, Faculty of Biological Sciences, Islamic University, Kushtia, Bangladesh., Dash R; Department of Anatomy, Dongguk University College of Medicine, Gyeongju, Republic of Korea.
Jazyk: angličtina
Zdroj: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022; Vol. 40 (21), pp. 10696-10714. Date of Electronic Publication: 2021 Jul 11.
DOI: 10.1080/07391102.2021.1947381
Abstrakt: Non-typhoidal Salmonella (NTS) is one of the leading bacterial causes of many invasive human infections with a high antibiotic resistance profile. With this concern, the current study aimed to design an effective epitope-based peptide vaccine against NTS species as a successive and substitutive protective measure of invasive NTS disease. To design rationally, the current study considered a comprehensive in silico workflow combination of both immunoinformatics and molecular modeling approaches, including molecular docking and molecular dynamics (MD) simulation. We identified the two most promising T cell epitopes KVLYGIFAI and YGIFAITAL, and three B cell epitopes AAPVQVGEAAGS, TGGGDGSNT, and TGGGDGSNTGTTTT, in the outer membrane of NTS. Using these epitopes, a multiepitope vaccine was subsequently constructed along with appropriate adjuvant and linkers, which showed a good binding affinity and stability with toll-like receptor 2 (TLR2) in both molecular docking and MD simulation. Furthermore, in silico immune simulation described a strong immune response with a high number of antibodies, interferon-γ, and activated B and T cells. This study collectively suggests that predicted vaccine constructs could be considered potential vaccine candidates against common NTS species.Communicated by Ramaswamy H. Sarma.
Databáze: MEDLINE