Barua Abanti, Masum Md Habib Ullah, Mahdeen Ahmad Abdullah
Department of Microbiology, Noakhali Science and Technology University, Noakhali, Bangladesh.
Department of Genomics and Bioinformatics, Faculty of Biotechnology and Genetic Engineering, Chattogram Veterinary and Animal Sciences University, Khulshi, Chattogram, Bangladesh.
Bioinform Biol Insights. 2025 Apr 16;19:11779322251331104. doi: 10.1177/11779322251331104. eCollection 2025.
infection of the stomach's epithelial cells is a significant risk factor for stomach cancer. Various proteins (CagA, GGT, NapA, PatA, urease, and VacA) were targeted to design 2 messenger RNA (mRNA) vaccines, V1 and V2, using bioinformatics tools. Physicochemical parameters, secondary and tertiary structure, molecular docking and dynamic simulation, codon optimization, and RNA structure prediction have also been estimated for these developed vaccines. Physicochemical analyses revealed that these developed vaccines are soluble (GRAVY < 0), basic (pI < 7), and stable (aliphatic index < 80). The secondary and tertiary structure of the vaccines demonstrated robustness. The docking with toll-like receptors (TLRs) revealed that the vaccines have a potential affinity for TLR-2 (V1: -1132.3 kJ/mol, V2: -1093.6 kJ/mol) and TLR-4 (V1: -1042.7 kJ/mol, V2: -1201.2 kJ/mol), and molecular dynamics simulations confirmed their dynamic stability. Structural analyses of V1 (-505.96 kcal/mol) and V2 (-634.92 kcal/mol) mRNA vaccines underscored their stability. In addition, the vaccine showed a considerable rise in the counts of B cells and extended activation of both T cells was also observed for the vaccines, suggesting the potential for long-lasting immunity, and offering enhanced protection against . These findings not only suggest potential long-lasting immunity against but also offer hope for the future of stomach cancer prevention. Notably, the study emphasizes the need for subsequent animal and human-based studies to confirm these promising results.
胃上皮细胞感染是胃癌的一个重要危险因素。利用生物信息学工具,针对多种蛋白质(CagA、GGT、NapA、PatA、尿素酶和VacA)设计了两种信使核糖核酸(mRNA)疫苗V1和V2。还对这些研发的疫苗进行了物理化学参数、二级和三级结构、分子对接和动力学模拟、密码子优化以及RNA结构预测。物理化学分析表明,这些研发的疫苗是可溶的(亲水性氨基酸平均系数<0)、碱性的(等电点<7)且稳定的(脂肪族指数<80)。疫苗的二级和三级结构显示出稳定性。与Toll样受体(TLR)的对接表明,这些疫苗对TLR-2(V1:-1132.3千焦/摩尔,V2:-1093.6千焦/摩尔)和TLR-4(V1:-1042.7千焦/摩尔,V2:-1201.2千焦/摩尔)具有潜在亲和力,分子动力学模拟证实了它们的动态稳定性。V1(-505.96千卡/摩尔)和V2(-634.92千卡/摩尔)mRNA疫苗的结构分析强调了它们的稳定性。此外,疫苗显示B细胞数量显著增加,并且还观察到两种疫苗的T细胞均被广泛激活,这表明具有产生持久免疫力的潜力,并能提供增强的保护。这些发现不仅表明对[原文此处有缺失内容]具有潜在的持久免疫力,也为胃癌预防的未来带来了希望。值得注意的是,该研究强调需要后续基于动物和人体的研究来证实这些有前景的结果。