Department of Nanoscience and Technology, Bharathiar University, Coimbatore, Tamil Nadu, India.
University of Notre Dame, Notre Dame, USA.
J Biomol Struct Dyn. 2023;41(21):12093-12105. doi: 10.1080/07391102.2023.2191136. Epub 2023 Mar 19.
Respiratory syncytial virus (RSV) is an infectious viral pathogen that causing serious respiratory infection in adults and neonates. The only approved therapies for RSV are the monoclonal antibodies palivizumab and its derivative motavizumab. Both treatments are expensive and require a hospital setting for administration. A vaccine represents a safe, effective and cheaper alternative for preventing RSV infection. prediction methods have proven to be valuable in speeding up the process of vaccine design. In this study, reverse vaccinology methods were used to predict the cytotoxic T lymphocytes (CTL) epitopes from the entire proteome of RSV strain A. From amongst 3402 predicted binders to 12 high frequency alleles from the Immune Epitope Database (IEDB), 567 had positive processing scores while 327 epitopes were predicted to be immunogenic. A thorough examination of the 327 epitopes for possible antigenicity, allergenicity and toxicity resulted in 95 epitopes with desirable properties. A BLASTp analysis revealed 94 unique and non-homologous epitopes that were subjected to molecular docking across the 12 high frequency alleles. The final dataset of 70 epitopes contained 13 experimentally proven and 57 unique epitopes from a total of 11 RSV proteins. From our findings on selected T-cell-specific RSV antigen epitopes, notably the four epitopes confirmed to exhibit stable binding by molecular dynamics. The prediction pipeline used in this study represents an effective way to screen the immunogenic epitopes from other pathogens.Communicated by Ramaswamy H. Sarma.
呼吸道合胞病毒(RSV)是一种传染性病毒病原体,可导致成人和新生儿严重的呼吸道感染。目前唯一批准用于 RSV 的治疗方法是单克隆抗体帕利珠单抗及其衍生物莫替沙珠单抗。这两种治疗方法都很昂贵,需要在医院环境下进行管理。疫苗是预防 RSV 感染的安全、有效且更便宜的替代方法。预测方法已被证明在加快疫苗设计过程方面具有价值。在这项研究中,反向疫苗学方法被用于从 RSV 株 A 的整个蛋白质组中预测细胞毒性 T 淋巴细胞(CTL)表位。在 3402 个预测到与免疫表位数据库(IEDB)中的 12 个高频率等位基因结合的结合物中,有 567 个具有阳性加工分数,而有 327 个表位被预测具有免疫原性。对 327 个表位进行了抗原性、变应原性和毒性的全面检查,结果有 95 个表位具有理想的特性。BLASTp 分析显示,有 94 个独特的非同源表位,这些表位经过分子对接,跨越 12 个高频率等位基因。最终数据集包含 70 个表位,其中 13 个是从 11 个 RSV 蛋白中实验证明的表位,57 个是独特的表位。从我们对选定的 RSV 抗原 T 细胞特异性表位的研究结果来看,特别是四个通过分子动力学证实具有稳定结合的表位。本研究中使用的预测管道代表了一种有效的方法,可以从其他病原体中筛选出免疫原性表位。由 Ramaswamy H. Sarma 传达。