Immunoinformatic Analysis of Leishmania Major gp46 Protein and Potential Targets for Vaccination against Leishmaniasis.

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-01-01 DOI:10.2174/0127722708283588240124095057

Mohammad Reza Hafezi Ahmadi, Mina Mamizadeh, Davood Siamian, Mehdi Ali Asghari Touyeh, Morteza Shams, Yasaman Rashidi

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引用次数: 0

Abstract

Background: Cutaneous leishmaniasis (CL) is a parasitic disease with a significant burden in the Old World countries.

Objective: In the current study, some of the primary biochemical properties and IFN-γ inducing epitopes with specific binding capacity to human and mouse MHC alleles were predicted for Leishmania major gp46 antigenic protein.

Methods: Several online servers were used to predict physico-chemical traits, allergenicity, antigenicity, transmembrane domain and signal peptide, subcellular localization, post-translational modifications (PTMs), secondary and tertiary structures, tertiary model refining with validations. Also, IEDB web server was used to predict mouse/human cytotoxic T-lymphocyte (CTL) and helper T-lymphocyte (HTL) epitopes.

Results: The 33.25 kDa protein was stable, hydrophilic, antigenic, while non-allergenic, with enhanced thermotolerance and 45 PTM sites. The secondary structure encompassed a random coil, followed by extended strands and helices. Ramachandran-based analysis of the refined model showed 73.1%, 21.6%, 3.4% and 1.9% of residues in the most favored, additional allowed, generously-allowed and disallowed regions, respectively. Epitope screening demonstrated 4 HTL epitopes against seemingly protective HLA alleles, 5 HTL epitopes against the HLA reference set, 3 human CTL epitopes and a number of mouse MHC-restricted epitopes.

Conclusion: This paper provides insights into the bioinformatics characteristics of the L. major gp46 protein as a promising vaccine candidate.

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利什曼病主要 gp46 蛋白的免疫形式分析和利什曼病疫苗的潜在靶标。

背景：皮肤利什曼病（CL皮肤利什曼病（CL）是一种寄生虫病，给旧世界国家带来了沉重负担：本研究预测了利什曼原虫主要抗原蛋白 gp46 的一些主要生化特性以及与人类和小鼠 MHC 等位基因具有特异性结合能力的 IFN-γ 诱导表位：使用多个在线服务器预测理化性状、过敏性、抗原性、跨膜域和信号肽、亚细胞定位、翻译后修饰（PTMs）、二级和三级结构、三级模型提炼和验证。此外，还利用 IEDB 网络服务器预测了小鼠/人类细胞毒性 T 淋巴细胞（CTL）和辅助性 T 淋巴细胞（HTL）表位：33.25 kDa 蛋白稳定、亲水性强、抗原性强、无过敏性、耐热性强，有 45 个 PTM 位点。二级结构包括一个随机线圈，其次是延伸的链和螺旋。基于拉马钱德兰分析法对完善后的模型进行了分析，结果显示，在最有利、额外允许、慷慨允许和不允许区域的残基分别占 73.1%、21.6%、3.4% 和 1.9%。表位筛选结果表明，有 4 个 HTL 表位针对看似具有保护性的 HLA 等位基因，5 个 HTL 表位针对 HLA 参考集，3 个人类 CTL 表位和一些小鼠 MHC 限制表位：本文深入探讨了大肠杆菌 gp46 蛋白作为候选疫苗的生物信息学特征。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.