Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Indore, India.
J Biomol Struct Dyn. 2023 Jul;41(10):4614-4631. doi: 10.1080/07391102.2022.2070284. Epub 2022 May 5.
An immunoinformatics-based strategy is being investigated to identify prospective multi-subunit vaccine candidates against (). We used a systematic technique based on protein structure to create a competent multi-subunit vaccine candidate against , with the likelihood of antigenicity, allergenicity, and transmembrane helices as the screening criteria. Using the suitable linkers, the best-screened epitopes such as B-cell epitopes (BCL), Helper T-lymphocytes (HTL), and cytotoxic T-lymphocytes (CTL) were linked together to intensify and develop the presentation and processing of the antigenic molecules. The greatest 3 D model of the component protein was created with the help of modeling software called Raptorax. The validation of the modeled protein was accomplished via the use of PROCHECK. Furthermore, using the ClusPro web server, the projected modeled structure was docked with known receptor TLR-4 to determine their interactions. A molecular dynamics (MD) simulation was used to investigate the stability of the multi-subunit vaccine bound with TLR-4 based on the docking score. Aside from that, the codon optimization and expression demonstrate the possibility of high expression and simple purification of the vaccine product resulting from codon optimization. The overall findings indicated that the multi-subunit vaccine might be a viable vaccination candidate against Communicated by Ramaswamy H. Sarma.
正在研究一种基于免疫信息学的策略,以鉴定针对 ()的有前途的多亚单位疫苗候选物。我们使用基于蛋白质结构的系统技术来创建针对 的有能力的多亚单位疫苗候选物,其筛选标准为抗原性、变应原性和跨膜螺旋的可能性。使用合适的接头,将最佳筛选的表位(如 B 细胞表位(BCL)、辅助 T 淋巴细胞(HTL)和细胞毒性 T 淋巴细胞(CTL))连接在一起,以增强和发展抗原分子的呈递和加工。借助名为 Raptorax 的建模软件创建了成分蛋白的最大 3D 模型。通过使用 PROCHECK 完成对建模蛋白的验证。此外,使用 ClusPro 网络服务器,将预测的建模结构与已知受体 TLR-4 对接,以确定它们的相互作用。基于对接评分,使用分子动力学(MD)模拟研究了与 TLR-4 结合的多亚单位疫苗的稳定性。除此之外,密码子优化和 表达表明,由于密码子优化,疫苗产品具有高表达和简单纯化的可能性。总体研究结果表明,针对 Communicated by Ramaswamy H. Sarma 的多亚单位疫苗可能是一种有前途的疫苗候选物。