Lim Chin Peng, Leow Chiuan Herng, Lim Hui Ting, Kok Boon Hui, Chuah Candy, Oliveira Jonas Ivan Nobre, Jones Malcolm, Leow Chiuan Yee
School of Pharmaceutical Sciences, Universiti Sains Malaysia, Gelugor, Malaysia.
Institute for Research in Molecular Medicine, Universiti Sains Malaysia, Gelugor, Malaysia.
Clin Exp Vaccine Res. 2024 Jul;13(3):202-217. doi: 10.7774/cevr.2024.13.3.202. Epub 2024 Jul 31.
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.
结构疫苗学在通过对免疫原性抗原进行高通量筛选来加速疫苗设计方面起着关键作用。这种方法利用抗原和免疫细胞受体的结构与功能特性,通过蛋白质结构比较来识别关键致病成分中的保守模式。包括同源建模和分子对接在内的分子建模技术,分析特定的三维(3D)结构和蛋白质相互作用,并为候选疫苗与靶蛋白之间的3D相互作用和结合亲和力提供有价值的见解。在本综述中,我们深入探讨了各种免疫信息学和分子建模工具的应用,以简化针对2019冠状病毒病变体的广谱保护性疫苗的开发。结构疫苗学显著增强了我们对宿主与病原体之间分子相互作用的理解。通过加快开发有效且有针对性疫苗的步伐,特别是针对快速变异的严重急性呼吸综合征冠状病毒2和其他流行传染病的疫苗,这种方法处于推进免疫策略的前沿。计算技术与结构见解的结合不仅有助于识别潜在的候选疫苗,还有助于疫苗的合理设计,促进采用更高效、有针对性的方法来对抗传染病。