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Accessing the T-Cell and B-Cell Immuno-Dominant Peptides from A.baumannii Biofilm Associated Protein (bap) as Vaccine Candidates: A Computational Approach
International Journal of Peptide Research and Therapeutics ( IF 2.0 ) Pub Date : 2020-04-17 , DOI: 10.1007/s10989-020-10064-0
A. S. Smiline Girija , G. Shoba , J Vijayashree Priyadharsini

The present study is aimed to identify potent vaccine peptide candidates against bapAB protein in A.baumannii involved with the biofilm associated virulence using immune informatics approach. FASTA sequence of the bapAB protein from A.baumannii was subjected to assess druggability, physico-chemical analysis, IEDB T-cell mapping, class-1 immunogenicity, conservancy and toxigenicity evaluations together with class-II epitope predictions. Final selection of B-cell epitopes was done with IEDB B-cell epitope tool and final docking of the peptides were interpreted by hydrogen bonds and interaction scores with TLR-2. Promising scores on antigenicity, GRAVY, instability and aliphatic index were obtained. Based on the combinatorial scores, 9 peptides (20aa) were selected on the positive scores of class-I immunogenicity and 7 peptides possessed > 50% class-I conservancy. Class-II conservancy yielded 5 epitopes (E1-E5) with > 50% conservancy with final predictions as non-toxic, probable, soluble and stable antigens for vaccine design. Galaxy WEBDock with TLR-2 receptor showed promising interactions for all epitopes with E2 and E3 possessing a maximum hydrogen bond interactions (n = 13) followed by E1.



中文翻译:

从鲍曼不动杆菌生物膜相关蛋白(bap)作为疫苗候选者获得T细胞和B细胞免疫优势肽:一种计算方法。

本研究旨在使用免疫信息学方法鉴定针对鲍曼不动杆菌中与生物膜相关毒力有关的bap AB蛋白的有效疫苗肽候选物。鲍曼不动杆菌bap AB蛋白的FASTA序列进行了可药性,理化分析,IEDB T细胞作图,1类免疫原性,保守性和产毒性评估以及II类表位预测。B细胞表位的最终选择是通过IEDB B细胞表位工具完成的,肽的最终对接通过氢键和与TLR-2的相互作用评分来解释。获得了关于抗原性,引力,不稳定性和脂肪族指数的有前途的评分。根据组合评分,从I类免疫原性的阳性评分中选择了9个肽段(20aa),而7个具有> 50%I类保守性的肽段。II类保守性产生5个表位(E1-E5),保守性> 50%,最终预测为疫苗设计的无毒,可能,可溶和稳定的抗原。

更新日期:2020-04-24
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