基于免疫信息学和分子动力学模拟的高效dc诱导多表位GP350抗eb病毒疫苗的设计

IF 2.3 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Golzar Fatahi , Maasoume Abdollahi , Zahra Nashtahosseini , Shima Minoo , Mehrnaz Mostafavi , Kholoud Saeidi
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引用次数: 0

摘要

这些发现强调了爱泼斯坦-巴尔病毒(EBV)在各种癌症发病中的关键作用。针对EBV感染缺乏有效的治疗方法或疫苗,本研究采用免疫信息学方法开发了一种针对EBV糖蛋白350 (Gp350)的多个表位的有效疫苗,Gp350是一种关键的表面蛋白。利用计算方法,我们设计了包含11个CTL和HTL表位的综合多表位疫苗,共计324个氨基酸,覆盖了5种不同的EBV菌株,如B95-8、P3HR-1、GD1、AG876和Akata。为了增强免疫原性,在疫苗的n端加入50S核糖体蛋白L7/L12 (rplL)作为佐剂。该疫苗的物理化学和免疫学特性进行了评估,证明其稳定性、效力、溶解度、亲水性、非过敏性和无毒性。分子对接研究表明,该疫苗与toll样受体4 (TLR4)相互作用。使用GROMACS进行的仿真证实了系统在100ns以上的稳定性。免疫模拟表明,该疫苗引发了强大的体液和细胞反应,激活了先天和适应性免疫。研究结果表明,多表位疫苗具有高度的免疫原性,具有进一步实验验证的巨大潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Designing of an efficient DC-inducing multi-epitope vaccine against Epstein Barr virus targeting the GP350 using immunoinformatics and molecular dynamic simulation
The findings underscore the critical role of Epstein-Barr virus (EBV) in the onset of various cancers. In response to the lack of effective treatments or vaccines for EBV infection, this investigation employed immunoinformatics approaches to develop a potent vaccine targeting multiple epitopes of the EBV glycoprotein 350 (Gp350), a key surface protein. Utilizing computational methods, we designed a comprehensive multi-epitope vaccine featuring 11 CTL and HTL epitopes, totaling 324 amino acids and covering five distinct EBV strains such as B95-8, P3HR-1, GD1, AG876, and Akata. To enhance immunogenicity, the 50S ribosomal protein L7/L12 (rplL) was included as an adjuvant at the vaccine's N-terminal. The vaccine was evaluated for its physicochemical and immunological properties, demonstrating stability, potency, solubility, hydrophilicity, non-allergenicity, and non-toxicity. Molecular docking studies have shown that the vaccine interacts with Toll-like receptor 4 (TLR4). Simulations performed using GROMACS confirmed the stability of the system over 100ns. Immune simulations indicated that the vaccine elicited robust humoral and cellular responses, activating both innate and adaptive immunity. The findings indicate that the multi-epitope vaccine is highly immunogenic and shows significant potential for further experimental validation.
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来源期刊
Biochemistry and Biophysics Reports
Biochemistry and Biophysics Reports Biochemistry, Genetics and Molecular Biology-Biophysics
CiteScore
4.60
自引率
0.00%
发文量
191
审稿时长
59 days
期刊介绍: Open access, online only, peer-reviewed international journal in the Life Sciences, established in 2014 Biochemistry and Biophysics Reports (BB Reports) publishes original research in all aspects of Biochemistry, Biophysics and related areas like Molecular and Cell Biology. BB Reports welcomes solid though more preliminary, descriptive and small scale results if they have the potential to stimulate and/or contribute to future research, leading to new insights or hypothesis. Primary criteria for acceptance is that the work is original, scientifically and technically sound and provides valuable knowledge to life sciences research. We strongly believe all results deserve to be published and documented for the advancement of science. BB Reports specifically appreciates receiving reports on: Negative results, Replication studies, Reanalysis of previous datasets.
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