In silico evaluation of Toxoplasma gondii rhoptry neck proteins (TgRONs) for potential immunogenic epitopes.

IF 4.9 3区 生物学 Q1 BIOLOGY
EXCLI Journal Pub Date : 2025-07-10 eCollection Date: 2025-01-01 DOI:10.17179/excli2025-8304
Masoud Forouta, Hany M Elsheikha, Amir Karimipour-Saryazdi, Ali Dalir Ghaffari, Fatemeh Ghaffarifar, Hamidreza Majidiani
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Abstract

This immunoinformatics-based study utilized a suite of online predictive tools to characterize the structural and immunogenic properties of Toxoplasma gondii rhoptry neck proteins (TgRONs). Full-length amino acid sequences of TgRON2, TgRON4, TgRON4L1, TgRON5, TgRON8, TgRON9, TgRON10, and TgRON13 were retrieved from ToxoDB and subjected to comprehensive analysis. Except for TgRON4L1, all proteins were predicted to be possess antigenic potential, with none identified as allergenic. Solubility predictions indicated that TgRON9 and TgRON10 are the most likely to be expressed as soluble antigens. Aliphatic index values, ranging from 51.17 to 84.63, suggest acceptable thermostability, while negative GRAVY scores across all proteins indicate favorable hydrophilicity. Additionally, multiple post-translational modification sites were identified, underscoring the functional complexity of these antigens. Initial 3D structure modeling showed that 60.21-92.41 % of residues fell within favored regions on Ramachandran plots, with refinement increasing this to 92.27-98.58 %, reflecting substantial improvements in structural quality. Several potential T-cell (CTL and HTL) and B-cell epitopes were predicted for all candidate proteins. Immune simulation models further suggested that these antigens could elicit robust humoral and cellular immune responses when delivered in a three-dose regimen at four-week intervals. These findings offer valuable preliminary insights and support the further investigation of TgRONs, particularly TgRON9 and TgRON10, as promising targets for experimental validation in the development of vaccines against T. gondii infection. See also the graphical abstract(Fig. 1).

Abstract Image

Abstract Image

Abstract Image

刚地弓形虫状颈蛋白(TgRONs)对潜在免疫原性表位的计算机评价。
这项基于免疫信息学的研究利用一套在线预测工具来表征刚地弓形虫状颈蛋白(TgRONs)的结构和免疫原性。从ToxoDB中检索TgRON2、TgRON4、TgRON4L1、TgRON5、TgRON8、TgRON9、TgRON10和TgRON13的全长氨基酸序列,进行综合分析。除TgRON4L1外,所有蛋白均预测具有抗原性,未发现有致敏性。溶解度预测表明,TgRON9和TgRON10最有可能作为可溶性抗原表达。脂肪族指数值范围从51.17到84.63,表明可以接受热稳定性,而所有蛋白质的负肉汁分数表明良好的亲水性。此外,还发现了多个翻译后修饰位点,强调了这些抗原的功能复杂性。最初的三维结构建模显示,60.21- 92.41%的残基落在Ramachandran地块的有利区域内,经过改进,这一比例增加到92.27- 98.58%,反映了结构质量的大幅提高。预测了所有候选蛋白的几个潜在的t细胞(CTL和HTL)和b细胞表位。免疫模拟模型进一步表明,这些抗原在每隔四周给药三次的方案中可以引起强大的体液和细胞免疫反应。这些发现提供了有价值的初步见解,并支持进一步研究TgRONs,特别是TgRON9和TgRON10,作为抗弓形虫感染疫苗开发中有希望的实验验证靶点。另见图解摘要(图1)。1).
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
EXCLI Journal
EXCLI Journal BIOLOGY-
CiteScore
8.00
自引率
2.20%
发文量
65
审稿时长
6-12 weeks
期刊介绍: EXCLI Journal publishes original research reports, authoritative reviews and case reports of experimental and clinical sciences. The journal is particularly keen to keep a broad view of science and technology, and therefore welcomes papers which bridge disciplines and may not suit the narrow specialism of other journals. Although the general emphasis is on biological sciences, studies from the following fields are explicitly encouraged (alphabetical order): aging research, behavioral sciences, biochemistry, cell biology, chemistry including analytical chemistry, clinical and preclinical studies, drug development, environmental health, ergonomics, forensic medicine, genetics, hepatology and gastroenterology, immunology, neurosciences, occupational medicine, oncology and cancer research, pharmacology, proteomics, psychiatric research, psychology, systems biology, toxicology
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