基于x射线晶体学的钱迪普勒囊泡病毒糖蛋白和RNA表位定位及其疫苗设计。

IF 4.9 3区医学 Q2 IMMUNOLOGY

Immunology Pub Date : 2025-02-04 DOI:10.1111/imm.13907

Aron Rodrick Lakra

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引用次数: 0

摘要

本研究利用x射线晶体学获得的MHC I类（HLA-A0201）和MHC II类（DRB1_0101）分子的三维结构，研究了CHPV糖蛋白和RNA的潜在表位。计算衍生的肽被定位并进行硅对接，揭示了CD8+细胞毒性和CD4+辅助性T细胞的有希望的靶标。分析的关键因素包括溶剂可达表面积（SASA）、德拜-沃勒因子（b因子）和极性键相互作用。对接后，去除n -乙酰氨基葡萄糖（NAG）增加了肽的稳定性，降低了b因子，而SO4的存在影响最小。MHC I类的SASA值增加了237.5%，与MHC II类的RNA对接显示混合型SASA变化。极性键相互作用在对接后也增加，表明已鉴定的CHPV表位具有很强的潜力。

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X-Ray Crystallography Based Epitope Mapping of Glycoproteins and RNA in Chandipura Vesiculovirus for Vaccine Design

This study investigates potential epitopes in the glycoprotein and RNA of Chandipura vesiculovirus (CHPV) using MHC Class I (HLA-A0201) and MHC Class II (DRB1_0101) molecules with 3D structures derived from x-ray crystallography. Computationally derived peptides were mapped and subjected to in silico docking, revealing promising targets for CD8+ cytotoxic and CD4+ helper T cells. Key factors analysed include solvent accessible surface area (SASA), Debye-Waller factor (B-factor), and polar bond interactions. Post-docking, removal of N-acetylglucosamine (NAG) increased peptide stability and reduced B-factors, while SO4 presence had minimal impact. SASA values increased by up to 237.5% with MHC Class I, and RNA docking with MHC Class II displayed mixed SASA changes. Polar bond interactions also increased post-docking, indicating the strong potential of identified CHPV epitopes.

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来源期刊

Immunology 医学-免疫学

CiteScore

11.90

自引率

1.60%

发文量

175

审稿时长

4-8 weeks

期刊介绍： Immunology is one of the longest-established immunology journals and is recognised as one of the leading journals in its field. We have global representation in authors, editors and reviewers. Immunology publishes papers describing original findings in all areas of cellular and molecular immunology. High-quality original articles describing mechanistic insights into fundamental aspects of the immune system are welcome. Topics of interest to the journal include: immune cell development, cancer immunology, systems immunology/omics and informatics, inflammation, immunometabolism, immunology of infection, microbiota and immunity, mucosal immunology, and neuroimmunology. The journal also publishes commissioned review articles on subjects of topical interest to immunologists, and commissions in-depth review series: themed sets of review articles which take a 360° view of select topics at the heart of immunological research.