Centre for Biotechnology and Microbiology, University of Swat, Swat, Pakistan.
Faculty of Life Sciences, Department of Biotechnology, University of Central Punjab, Lahore, Pakistan.
J Biomol Struct Dyn. 2022 Feb;40(2):833-847. doi: 10.1080/07391102.2020.1819423. Epub 2020 Sep 14.
a prominent pathogen responsible for acute periodontal diseases, is widely studied by the scientific community for its successful evasion of the host immune system. is associated with rheumatoid arthritis, dementia, and Alzheimer's. The pathogen successfully survives itself against the heavy load of conventional antibiotics because of its ability to evade the host immune system. Subtractive proteomics and reverse vaccinology approaches were employed in order to prioritize the best proteins for vaccine designing. Three vaccine candidates with Uniprot ID: Q7MWZ2 (histidine Kinase), Q7MVL1 (Fe (2+) transporter), and Q7MWZ2 (Capsular polysaccharide transport protein) were identified for vaccine designing. These proteins are antigenic and essential for pathogen survival. A wide range of immunoinformatics tools was applied for the prediction of epitopes, B, and T cells, for the vaccine candidate proteins. Molecular docking of the predicted epitopes against the MHC molecules were carried out. vaccine was constructed using carefully evaluated epitopes and consequently modeled for docking with human Toll-like receptor 2. Chain C of Pam3CSK4 (PDB ID; 2Z7X) was linked to the vaccine as an adjuvant to boost immune response towards the vaccine. For stability evaluation of the vaccine-TLR-2 docked complex, Molecular Dynamics simulations were performed. The reverse-translated nucleotide sequence cloned in to attain the maximal expression of the vaccine protein. The maximal expression was ensured by CAI score of 0.96. The current vaccine requires future experimental validation to confirm its effectiveness. The vaccine developed will be helpful to protect against associated infections.Communicated by Ramaswamy H. Sarma.
一种主要的病原体,负责急性牙周病,因其成功逃避宿主免疫系统而受到科学界广泛研究。与类风湿性关节炎、痴呆和阿尔茨海默病有关。由于其逃避宿主免疫系统的能力,病原体成功地抵御了常规抗生素的沉重负担而存活下来。采用消减蛋白质组学和反向疫苗学方法,优先选择最佳的蛋白质用于疫苗设计。有三个候选疫苗蛋白,Uniprot ID:Q7MWZ2(组氨酸激酶)、Q7MVL1(Fe(2+)转运蛋白)和 Q7MWZ2(荚膜多糖转运蛋白),用于疫苗设计。这些蛋白具有抗原性,是病原体生存所必需的。应用了广泛的免疫信息学工具来预测候选疫苗蛋白的表位、B 细胞和 T 细胞。针对 MHC 分子对接预测的表位。使用经过精心评估的表位构建了 疫苗,并随后对其与人类 Toll 样受体 2 的对接进行建模。将 Pam3CSK4(PDB ID;2Z7X)的链 C 链接到疫苗中作为佐剂,以增强对疫苗的免疫反应。为了评估疫苗-TLR-2 对接复合物的稳定性,进行了分子动力学模拟。将反向翻译的核苷酸序列克隆到 中,以获得疫苗蛋白的最大表达。通过 CAI 评分 0.96 确保了最大表达。目前的疫苗需要进一步的实验验证来确认其有效性。开发的疫苗将有助于预防 相关感染。由 Ramaswamy H. Sarma 传达。