Affiliations 

  • 1 School of Pharmaceutical Sciences, Universiti Sains Malaysia, Gelugor, Malaysia
  • 2 Institute for Research in Molecular Medicine, Universiti Sains Malaysia, Gelugor, Malaysia
  • 3 Faculty of Medicine, Asian Institute of Medical Science and Technology University, Bedong, Malaysia
  • 4 Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, Brazil
  • 5 School of Veterinary Science, The University of Queensland, Gatton, Australia
Clin Exp Vaccine Res, 2024 Jul;13(3):202-217.
PMID: 39144127 DOI: 10.7774/cevr.2024.13.3.202

Abstract

Structural vaccinology is pivotal in expediting vaccine design through high-throughput screening of immunogenic antigens. Leveraging the structural and functional characteristics of antigens and immune cell receptors, this approach employs protein structural comparison to identify conserved patterns in key pathogenic components. Molecular modeling techniques, including homology modeling and molecular docking, analyze specific three-dimensional (3D) structures and protein interactions and offer valuable insights into the 3D interactions and binding affinity between vaccine candidates and target proteins. In this review, we delve into the utilization of various immunoinformatics and molecular modeling tools to streamline the development of broad-protective vaccines against coronavirus disease 2019 variants. Structural vaccinology significantly enhances our understanding of molecular interactions between hosts and pathogens. By accelerating the pace of developing effective and targeted vaccines, particularly against the rapidly mutating severe acute respiratory syndrome coronavirus 2 and other prevalent infectious diseases, this approach stands at the forefront of advancing immunization strategies. The combination of computational techniques and structural insights not only facilitates the identification of potential vaccine candidates but also contributes to the rational design of vaccines, fostering a more efficient and targeted approach to combatting infectious diseases.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.