Development of Subunit Vaccine Candidate for Prevention of Dengue Fever Using Immunoinformatics Methods

IF 0.5 4区 材料科学 Q4 CRYSTALLOGRAPHY
A. A. Tulenev, V. I. Timofeev, A. A. Chernyavsky, A. S. Ivanovsky, Yu. V. Kordonskaya, Yu. V. Pisarevsky, Yu. A. Dyakova
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引用次数: 0

Abstract

A vaccine prototype against dengue virus was designed based on the analysis of the outer-membrane domains of the dengue virus capsid protein. In order to predict the epitope structures, the three-dimensional structures of the domains were modeled using the AlphaFold2 artificial intelligence system. The retention of the structural stability of all studied subdomains was demonstrated by molecular dynamics simulations of vaccine candidates using the Gromacs-2023 program package. The ability of the vaccine candidate to induce a pronounced primary cell immune response and a stable secondary immune response was predicted with the C-IMMSIMM server.

Abstract Image

利用免疫信息学方法研制登革热亚单位候选疫苗
在分析登革病毒衣壳蛋白外膜结构域的基础上,设计了登革热病毒疫苗原型。为了预测表位结构,利用人工智能系统AlphaFold2对结构域的三维结构进行建模。使用Gromacs-2023程序包对候选疫苗进行分子动力学模拟,证明了所有研究子结构域的结构稳定性。用C-IMMSIMM服务器预测候选疫苗诱导明显的原代细胞免疫反应和稳定的二次免疫反应的能力。
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来源期刊
Crystallography Reports
Crystallography Reports 化学-晶体学
CiteScore
1.10
自引率
28.60%
发文量
96
审稿时长
4-8 weeks
期刊介绍: Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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