Vaccine Formulation and Optimization for Human Herpes Virus-5 through an Immunoinformatics Framework,ACS Pharmacology & Translational Science

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Vaccine Formulation and Optimization for Human Herpes Virus-5 through an Immunoinformatics Framework
ACS Pharmacology & Translational Science ( IF 4.9 ) Pub Date : 2020-10-19 , DOI: 10.1021/acsptsci.0c00139
Neeraj Kumar ₁ , Damini Sood ₁ , Ramesh Chandra ₁

Affiliation

In the current situation, the importance of vaccines for viral diseases has become the need of the hour. The scientific community in the field of virology has taken it upon themselves to develop vaccines for viral infections before an epidemic or pandemic situation arises. Human herpes virus-5 is an emerging situation that has alarming cases with major health concerns, including congenital impairments and infections leading to cancer states. Vaccination is the route most likely to succeed in the battleground with viral infections and consequences. Hence in the present manuscript, we have formulated the multiepitope subunit vaccine and optimized it with the advanced computational immunological framework. As a result, we report the subunit vaccine for HHV-5, comprised of promiscuous cytotoxic T-lymphocytes epitopes, helper T-lymphocytes, and B-cell epitopes engineered with putative adjuvants to ensure the strong immune response. The formulated subunit vaccine depicted high antigenicity and immunogenicity along with sustainable physicochemical characteristics. Molecular dynamics simulation analyses revealed the strong binding of the vaccine with MHC receptors (MHC-1 and MHC-2) and the virus progression specific membrane receptor TLR2 for a 100 ns MD simulation run. The interacting trajectory analysis of the vaccine showed stable binding with minimal deviations through RMSD, RMSF, and secondary structure confinement plot analyses for a long span of 100 ns. Interestingly, the vaccine showed robust immune response statistics for a prolonged time with evoking T-cell and B-cell populations with other vital players of the immune system, through the machine learning-based immune simulation approach. This study paved the way to a multiepitope vaccine for HHV-5 employing the immunoinformatics networks.

中文翻译：

通过免疫信息学框架对人疱疹病毒 5 进行疫苗配制和优化

在当前形势下，病毒性疾病疫苗的重要性已成为刻不容缓。病毒学领域的科学界已着手在流行病或大流行情况出现之前开发用于病毒感染的疫苗。人类疱疹病毒 5 是一种新出现的情况，它具有令人担忧的严重健康问题，包括先天性损伤和导致癌症状态的感染。疫苗接种是最有可能在具有病毒感染和后果的战场上取得成功的途径。因此，在本手稿中，我们制定了多表位亚单位疫苗，并使用先进的计算免疫学框架对其进行了优化。因此，我们报告了 HHV-5 亚单位疫苗，由混杂的细胞毒性 T 淋巴细胞表位、辅助 T 淋巴细胞、和 B 细胞表位与推定的佐剂工程，以确保强大的免疫反应。配制的亚单位疫苗具有高抗原性和免疫原性以及可持续的理化特性。分子动力学模拟分析揭示了疫苗与 MHC 受体（MHC-1 和 MHC-2）和病毒进展特异性膜受体 TLR2 的强结合，用于 100 ns MD 模拟运行。通过 RMSD、RMSF 和二级结构限制图分析，疫苗的相互作用轨迹分析显示出稳定的结合，并且在 100 ns 的长跨度内具有最小的偏差。有趣的是，该疫苗在很长一段时间内都显示出强大的免疫反应统计数据，可与免疫系统的其他重要参与者一起引起 T 细胞和 B 细胞群，通过基于机器学习的免疫模拟方法。这项研究为采用免疫信息学网络的 HHV-5 多表位疫苗铺平了道路。

更新日期：2020-12-12

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