BMC Molecular and Cell Biology (Dec 2024)

Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics

  • Jadoon Khan,
  • Asma Sadiq,
  • May M. Alrashed,
  • Nosheen Basharat,
  • Syed Nadeem Ul Hassan Mohani,
  • Tawaf Ali Shah,
  • Kotb A. Attia,
  • Aamer Ali Shah,
  • Hayat Khan,
  • Ijaz Ali,
  • Arif Ahmed Mohammed

DOI
https://doi.org/10.1186/s12860-024-00524-6
Journal volume & issue
Vol. 25, no. 1
pp. 1 – 14

Abstract

Read online

Abstract Cystic echinococcosis (CE) is a worldwide zoonotic public health issue. The reasons for this include a lack of specific therapy options, increasing antiparasitic drug resistance, a lack of control strategies, and the absence of an approved vaccine. The aim of the current study is to develop a multiepitope vaccine against CE by in-silico identification and using different Antigen B subunits. The five Echinococcus granulosus antigen B (EgAgB) subunits were examined for eminent antigenic epitopes, and then the best B-cell and Major Histocompatibility Complex MHC-binding epitopes were predicted. Most significant epitopes were combined to create an effective multi-epitope vaccine, which was then validated by testing its secondary and tertiary structures, physicochemical properties, and molecular dynamics (MD) modelling. A multi-epitope vaccine construct of 483 amino acid sequences was designed. It contains B-cell, Helper T Lymphocyte (HTL), and Cytotoxic T Lymphocyte (CTL) epitopes as well as the appropriate adjuvant and linker molecules. The resultant vaccinal construct had a GDT-HA value of 0.9725, RMSD of 0.299, MolProbity of 1.891, Clash score of 13.1, Poor rotamers of 0.9, and qualifying features with Rama favoured of 89.9. It was also highly immunogenic and less allergic. The majority of the amino acids were positioned in the Ramachandran plot’s favourable area, and during the molecular dynamic simulation at 100 ns, no notable structural abnormalities were noticed. The resultant construct was significantly expressed and received good endorsement in the pIB2-SEC13-mEGFP expressional vector. In conclusion, the current in-silico multi-epitope vaccine may be evaluated in-vitro, in-vivo, and in clinical trials as an immunogenic vaccine model. It can also play a vital role in preventing this zoonotic parasite infection.

Keywords