School of Biotechnology, Jawaharlal Nehru University (JNU), Delhi, India.
Department of Biotechnology, Teri School of Advanced Studies, New Delhi, India.
J Biomol Struct Dyn. 2022;40(19):9096-9113. doi: 10.1080/07391102.2021.1924265. Epub 2021 May 26.
SARS-CoV-2, the causative agent behind the ongoing pandemic exhibits an enhanced potential for infection when compared to its related family members- the SARS-CoV and MERS-CoV; which have caused similar disease outbreaks in the past. The severity of the global health burden, increasing mortality rate and the emergent economic crisis urgently demands the development of next generation vaccines. Amongst such emergent next generation vaccines are the multi-epitope subunit vaccines, which hold promise in combating deadly pathogens. In this study we have exploited immunoinformatics applications to delineate a vaccine candidate possessing multiple B and T cells epitopes by utilizing the SARS-CoV-2 non structural and structural proteins. The antigenicity potential, safety, structural stability and the production feasibility of the designed construct was evaluated computationally. Furthermore, due to the known role of human TLR-3 immune receptor in viral sensing, which facilitates host cells activation for an immune response, the vaccine construct was examined for its binding efficiency using molecular docking and molecular dynamics simulation studies, which resulted in strong and stable interactions. Finally, the immune simulation studies suggested an effective immune response on vaccine administration. Overall, the immunoinformatics analysis advocates that the proposed vaccine candidate is safe and immunogenic and therefore can be pushed as a lead for and investigations.Communicated by Ramaswamy H. Sarma.
导致当前大流行的 SARS-CoV-2 与它的相关家族成员 SARS-CoV 和 MERS-CoV 相比,具有更强的感染潜力;这些病毒在过去曾引起过类似的疾病爆发。全球健康负担的严重程度、不断上升的死亡率和紧急出现的经济危机,迫切需要开发下一代疫苗。在这些新兴的下一代疫苗中,有多表位亚单位疫苗,它们在对抗致命病原体方面具有潜力。在这项研究中,我们利用免疫信息学应用程序,利用 SARS-CoV-2 的非结构和结构蛋白,描绘了一种具有多个 B 和 T 细胞表位的疫苗候选物。通过计算评估了设计构建体的抗原性潜力、安全性、结构稳定性和生产可行性。此外,由于人类 TLR-3 免疫受体在病毒感应中的已知作用,它促进了宿主细胞对免疫反应的激活,因此使用分子对接和分子动力学模拟研究检查了疫苗构建体的结合效率,结果表明存在强而稳定的相互作用。最后,免疫模拟研究表明,疫苗接种后会产生有效的免疫反应。总的来说,免疫信息学分析表明,所提出的疫苗候选物是安全和免疫原性的,因此可以作为进一步研究的候选物。由 Ramaswamy H. Sarma 交流。