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Computational design of a novel multi-epitope vaccine against Coxiella burnetii.
Human Immunology ( IF 3.1 ) Pub Date : 2020-07-24 , DOI: 10.1016/j.humimm.2020.05.010
Amin Jaydari 1 , Narges Nazifi 1 , Ali Forouharmehr 2
Affiliation  

Query fever is a zoonotic disease caused by Coxiella burnetii. There is no universal method for the prevention of this disease. Recombinant vaccine is a potent strategy that can be utilized for this purpose. The current study was conducted to develop a multi-epitope vaccine against Coxiella burnetii. Hence, OmpA, Tuf2, GroEL, Mip and sucB antigens were used for the prediction of epitopes. Then, a multi-epitope vaccine was developed based on a molecular adjuvant and fragments that contained the best MHCI, B cell, MHCII and IFN-γ epitopes. The features of the developed vaccine including physicochemical parameters, antigenicity and protein structures were assessed. Also, interaction between the developed vaccine and TLR4/MD2 receptor along with molecular dynamics of the ligand-receptor complex were investigated. Finally, the codon adaptation and cloning were conducted for the developed vaccine. According to the results, molecular weight, instability index, antigenicity and random coil percentage of the developed vaccine were 54.4 kDa, 32.84, 1.1936 and 34.92%, respectively. Besides, residues distribution in core region of the refined model was 85%. The results demonstrated that the developed vaccine could dock to its receptor with the lowest energy of −976.7 as well as RMSD value of the complex was between 0.15 and 0.22 nm. Also, the results showed that CIA index of the codon adapted sequence was 0.95. Finally, cloning results revealed that nucleotide sequence of the developed vaccine could be successfully cloned into pET-21a (+). Based on these results, it seems that the developed vaccine can be a suitable candidate to prevent Coxiella burnetii.



中文翻译:

针对伯氏柯氏杆菌的新型多表位疫苗的计算设计。

查询发烧是由柯氏杆菌引起的人畜共患疾病。没有预防这种疾病的通用方法。重组疫苗是可用于此目的的有效策略。进行当前的研究以开发针对伯氏柯氏杆菌的多表位疫苗因此,OmpA,Tuf2,GroEL,Mip和sucB抗原被用于表位的预测。然后,基于分子佐剂和包含最佳MHCI,B细胞,MHCII和IFN-γ表位的片段开发了多表位疫苗。评估了已开发疫苗的特征,包括理化参数,抗原性和蛋白质结构。此外,还研究了开发的疫苗与TLR4 / MD2受体之间的相互作用以及配体-受体复合物的分子动力学。最后,对开发的疫苗进行密码子适应和克隆。根据结果​​,所开发疫苗的分子量,不稳定性指数,抗原性和无规卷曲百分比分别为54.4 kDa,32.84、1.1936和34.92%。除了,精炼模型核心区域残留量为85%。结果表明,开发的疫苗可以以-976.7的最低能量对接至其受体,复合物的RMSD值在0.15至0.22 nm之间。而且,结果表明,密码子适应序列的CIA指数为0.95。最后,克隆结果表明所开发疫苗的核苷酸序列可以成功地克隆到pET-21a(+)中。根据这些结果,似乎开发出的疫苗可能是预防 克隆结果表明,所开发疫苗的核苷酸序列可成功克隆到pET-21a(+)中。根据这些结果,似乎开发出的疫苗可能是预防 克隆结果表明,所开发疫苗的核苷酸序列可成功克隆到pET-21a(+)中。根据这些结果,似乎开发出的疫苗可能是预防柯氏杆菌

更新日期:2020-07-24
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