利用免疫信息学、分子对接和动力学方法合理设计针对心脏地带病毒 (HRTV) 的多表位疫苗

IF 2.1 3区 医学 Q2 PARASITOLOGY
Mohammad Z. Ahmed, Ali S. Alqahtani, Md. Tabish Rehman
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引用次数: 0

摘要

心脏病毒(HRTV)是一种感染人类的单链负义 RNA 病毒。由于目前还没有治疗 HRTV 感染的抗病毒药物,在病情严重的情况下只能采取支持性护理措施。因此,人们开始研究开发一种能够有效预防 HRTV 感染的多表位疫苗。在这项研究中,我们结合使用了免疫信息学、分子对接和分子动力学模拟等方法,研制出了一种多表位疫苗。利用 HRTV 蛋白质组预测 B 细胞、T 细胞(HTL 和 CTL)和 IFN 表位。经过预测,选出了高抗原性、非过敏性和免疫原性表位,包括 6 个 CTL 表位、8 个 HTL 表位和 5 个 LBL 表位,这些表位分别通过 AAY、GPGPG 和 KK 连接器与最终肽连接。疫苗的 N 端通过 EAAAK 连接体引入了佐剂,以增加其免疫原性。加入连接体和佐剂后,最终构建体有 359 个氨基酸。B细胞和IFN-γ表位的存在验证了该构建体的获得性体液和细胞介导免疫反应。为确保疫苗的安全性和免疫原性,对其过敏性、抗原性和各种理化特性进行了评估。对接法用于评估疫苗与 TLR-3 的结合亲和力和分子相互作用。此外,还利用硅克隆技术确认了构建体的有效性和表达效率。这些计算机检测结果表明,所设计的疫苗在开发针对 HRTV 的保护性免疫方面具有很好的前景;然而,要验证其真正的免疫保护效率,还需要进行更多的体内和体外研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Rational design of a multi-epitope vaccine against heartland virus (HRTV) using immune-informatics, molecular docking and dynamics approaches

Heartland virus (HRTV) is a single-stranded negative-sense RNA virus that infects human beings. Because there are no antiviral medications available to treat HRTV infection, supportive care management is used in cases of severe disease. Therefore, it has spurred research into developing a multi-epitope vaccine capable of providing effective protection against HRTV infection. A multi-epitope vaccine was created using a combination of immuno-informatics, molecular docking and molecular dynamics simulation in this investigation. The HRTV proteome was utilized to predict B-cell, T-cell (HTL and CTL), and IFN-epitopes. Following prediction, highly antigenic, non-allergenic and immunogenic epitopes were chosen, including 6 CTL, 8 HTL, and 5 LBL epitopes that were connected to the final peptide by AAY, GPGPG, and KK linkers, respectively. An adjuvant was introduced to the vaccine's N-terminal through the EAAAK linker to increase its immunogenicity. Following the inclusion of linkers and adjuvant, the final construct has 359 amino acids. The presence of B-cell and IFN-γ-epitopes validates the construct's acquired humoral and cell-mediated immune responses. To ensure the vaccine's safety and immunogenicity profile, its allergenicity, antigenicity, and various physicochemical characteristics were assessed. Docking was used to assess the binding affinity and molecular interaction between the vaccination and TLR-3. In silico cloning was used to confirm the construct's validity and expression efficiency. The results of these computer assays demonstrated that the designed vaccine is highly promising in terms of developing protective immunity against HRTV; nevertheless, additional in vivo and in vitro investigations are required to validate its true immune-protective efficiency.

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来源期刊
Acta tropica
Acta tropica 医学-寄生虫学
CiteScore
5.40
自引率
11.10%
发文量
383
审稿时长
37 days
期刊介绍: Acta Tropica, is an international journal on infectious diseases that covers public health sciences and biomedical research with particular emphasis on topics relevant to human and animal health in the tropics and the subtropics.
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