Drug Radiation Research Department, National Centre for Radiation Research and Technology (NCRRT), Egyptian Atomic Energy Authority (EAEA), Cairo, Egypt.
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, Cairo, Egypt.
Sci Rep. 2024 Jul 31;14(1):17645. doi: 10.1038/s41598-024-67553-1.
The Middle East has witnessed a greater spread of infectious Dengue viruses, with serotype 2 (DENV-2) being the most prevalent form. Through this work, multi-epitope peptide vaccines against DENV-2 that target E and nonstructural (NS1) proteins were generated through an immunoinformatic approach. MHC class I and II and LBL epitopes among NS1 and envelope E proteins sequences were predicted and their antigenicity, toxicity, and allergenicity were investigated. Studies of the population coverage denoted the high prevalence of NS1 and envelope-E epitopes among different countries where DENV-2 endemic. Further, both the CTL and HTL epitopes retrieved from NS1 epitopes exhibited high conservancies' percentages with other DENV serotypes (1, 3, and 4). Three vaccine constructs were created and the expected immune responses for the constructs were estimated using C-IMMSIM and HADDOCK (against TLR 2,3,4,5, and 7). Molecular dynamics simulation for vaccine construct 2 with TLR4 denoted high binding affinity and stability of the construct with the receptor which might foretell favorable in vivo interaction and immune responses.
中东地区已出现更广泛传播的传染性登革热病毒，其中血清型 2（DENV-2）最为普遍。通过这项工作，采用免疫信息学方法针对 DENV-2 的 E 蛋白和非结构（NS1）蛋白生成了多表位肽疫苗。对 NS1 和包膜 E 蛋白序列中的 MHC Ⅰ类和Ⅱ类以及 LBL 表位进行了预测，并对其抗原性、毒性和过敏性进行了研究。人群覆盖研究表明，在登革热 2 型流行的不同国家，NS1 和包膜-E 表位的流行率很高。此外，从 NS1 表位中检索到的 CTL 和 HTL 表位与其他登革热血清型（1、3 和 4）具有很高的保守性百分比。构建了三个疫苗构建体，并使用 C-IMMSIM 和 HADDOCK（针对 TLR 2、3、4、5 和 7）估算了构建体的预期免疫反应。与 TLR4 的疫苗构建体 2 的分子动力学模拟表示该构建体与受体具有高结合亲和力和稳定性，这可能预示着体内有利的相互作用和免疫反应。
