两种源自鲍曼不动杆菌外膜蛋白 K 的肽段作为疫苗候选物:全面的计算机研究。
Two peptides derivate from Acinetobacter baumannii outer membrane protein K as vaccine candidates: a comprehensive in silico study.
机构信息
Department of Microbiology, Faculty of Basic Sciences, Shahrekord Branch, Islamic Azad University, Shahrekord, Iran.
Infectious Diseases Research Center, Health Institute, Kermanshah University of Medical Sciences, Imam Reza Hospital, Parastar Blvd, Kermanshah, 6714415333, Iran.
出版信息
BMC Res Notes. 2023 Jun 30;16(1):128. doi: 10.1186/s13104-023-06409-9.
BACKGROUND
The lack of appropriate vaccines is an obstacle to the effective management of A. baumannii infections. Peptide vaccines offer an attractive and promising preventive strategy against A. baumannii.
OBJECTIVE
In this study, we identified specific T cell epitopes of A. baumannii outer membrane protein K (OMPK) using comprehensive bioinformatics and detailed molecular docking analysis.
METHODS
Both class-I and class-II T cell epitopes of A. baumannii OMPK were predicted by three tools namely IEDB, SYFPEITHI, and ProPred. The predicted epitopes were shortlisted based on several analyses including prediction scoring, clustering, exclusion of human similarity, considering immunogenicity and cytokine production, and removal of toxic and/or allergen epitopes. The epitopic peptides with high prediction scores and appropriate properties containing both class-I and class-II T cell epitopes were selected. Two of these class I/II epitopic peptides were chosen for molecular docking studies and assessing their physicochemical properties as vaccine candidates.
RESULTS
The results showed many T-cell epitopes of OMPK that could be evaluated for possible immunogenicity. Two of these epitopes (containing both class-I and II epitopes) had high prediction scores, were predicted by several tools, attached to several HLAs, and had the best docking score. They had different physicochemical properties and were conserved among Acinetobacter species.
DISCUSSION
We identified the A. baumannii OMPK high immunogenic class-I and class-II T cell epitopes and introduced two promising high immunogenic peptides as vaccine candidates. It is recommended to perform in vitro/in vivo investigation of these peptides to determine their true efficacy and efficiency.
背景
缺乏适当的疫苗是有效管理鲍曼不动杆菌感染的障碍。肽疫苗为预防鲍曼不动杆菌提供了一种有吸引力和有前途的策略。
目的
本研究通过综合生物信息学和详细的分子对接分析,鉴定了鲍曼不动杆菌外膜蛋白 K(OMPK)的特异性 T 细胞表位。
方法
使用 IEDB、SYFPEITHI 和 ProPred 这三种工具分别预测了鲍曼不动杆菌 OMPK 的 I 类和 II 类 T 细胞表位。根据预测评分、聚类、排除人类相似性、考虑免疫原性和细胞因子产生以及去除毒性和/或过敏原表位等多种分析,对预测的表位进行了筛选。选择具有高预测评分和适当特性的表位肽,包含 I 类和 II 类 T 细胞表位。选择其中两个具有高预测评分和适当特性的 I/II 类表位肽进行分子对接研究,并评估其作为疫苗候选物的物理化学性质。
结果
结果显示了 OMPK 的许多 T 细胞表位,这些表位可以评估其可能的免疫原性。其中两个表位(包含 I 类和 II 类表位)具有高预测评分,被多种工具预测,与多种 HLA 结合,具有最佳的对接评分。它们具有不同的物理化学性质,并在不动杆菌属中保守。
讨论
我们鉴定了鲍曼不动杆菌 OMPK 的高免疫原性 I 类和 II 类 T 细胞表位,并提出了两种有前途的高免疫原性肽作为疫苗候选物。建议对这些肽进行体外/体内研究,以确定它们的真正疗效和效率。