Using a dual immunoinformatics and bioinformatics approach to design a novel and effective multi-epitope vaccine against human torovirus disease.

E. coli expression HToV vaccine In-silico design Multi-epitope TLR-3

Journal

Computational biology and chemistry
ISSN: 1476-928X
Titre abrégé: Comput Biol Chem
Pays: England
ID NLM: 101157394

Informations de publication

Date de publication:
19 Sep 2024
Historique:
received: 08 07 2024
revised: 31 08 2024
accepted: 12 09 2024
medline: 27 9 2024
pubmed: 27 9 2024
entrez: 26 9 2024
Statut: aheadofprint

Résumé

Human Torovirus (HToV), a member of the Coronaviridae family, causes severe enteric diseases with no specific medication available. To develop novel preventative measures, we employed immunoinformatics techniques to design a multi-epitope-based subunit vaccine (HToV-MEV) triggering diverse immune responses. We selected non-allergenic, non-toxic, and antigenic epitopes from structural polyproteins, joined them with suitable linkers, and added an adjuvant 50S ribosomal L7/L12 peptide. The vaccine's solubility score of 0.903678 and physiochemical properties were found effective. Molecular dynamics simulations and free energy calculations revealed strong binding affinity for Toll-like receptor 3 (TLR-3), with a lowest energy score of -303.88, indicating high affinity. In-silico cloning and codon optimization showed significant production potential in E. coli. Immune simulations predicted a human immunological response. Our results are promising, but subsequent in vivo research is recommended. The HToV-MEV vaccine design demonstrates potential for preventing HToV-related diseases, and further investigation is warranted to explore its therapeutic applications.

Identifiants

pubmed: 39326336
pii: S1476-9271(24)00201-9
doi: 10.1016/j.compbiolchem.2024.108213
pii:
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

108213

Informations de copyright

Copyright © 2024 Elsevier Ltd. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of Competing Interest "I, Sajjad Ahmad, declare that my work on vaccine design aligns with the scope of the journal 'Computational Approaches in Vaccine Design for Biology and Medicine,' which serves as a platform for advancing computational methodologies in vaccine development. My research contributes to the interdisciplinary nature of vaccine design, integrating computational approaches with traditional experimental techniques. I affirm that there are no competing interests to declare.

Auteurs

Sajjad Ahmad (S)

Centre for Biotechnology and Microbiology, University of Swat, Mingora, Kpk 19200, Pakistan.

Syed Shujait Ali (SS)

Centre for Biotechnology and Microbiology, University of Swat, Mingora, Kpk 19200, Pakistan.

Arshad Iqbal (A)

Centre for Biotechnology and Microbiology, University of Swat, Mingora, Kpk 19200, Pakistan. Electronic address: arshad.iqbal@uswat.edu.pk.

Shahid Ali (S)

Centre for Biotechnology and Microbiology, University of Swat, Mingora, Kpk 19200, Pakistan.

Zahid Hussain (Z)

Centre for Biotechnology and Microbiology, University of Swat, Mingora, Kpk 19200, Pakistan.

Ishaq Khan (I)

Centre for Biotechnology and Microbiology, University of Swat, Mingora, Kpk 19200, Pakistan.

Hayat Khan (H)

Department of Genomics, Phenomics, and Bioinformatics, North Dakota State University, USA.

Classifications MeSH