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Designing an immunoinformatic vaccine for peri-implantitis using a structural biology approach
Saudi Journal of Biological Sciences Pub Date : 2021-09-17 , DOI: 10.1016/j.sjbs.2021.09.041
Pradeep Kumar Yadalam 1 , Santhiya Rengaraj 1 , Maryam H Mugri 2 , Mohammed Sayed 3 , Amit Porwal 3 , Nasser Mesfer Alahmari 4 , Khaled M Alzahrani 5 , Ali Robaian 6 , Hosam Ali Baeshen 7 , Shankargouda Patil 8
Affiliation  

Objectives

Peri-implantitis is a destructive inflammatory process that affects the soft and hard tissues around dental implants. porphyromonas gingivalis, an anaerobic gram-negative bacterium, appears to be the main culprit. Since there is no efficient and specific vaccine to treat peri-implantitis, the goal of our research has been to develop a multi-epitope vaccination utilizing an immunoinformatics approach that targeted P. gingivalis type I fim A.

Materials and methods

P. gingivalis peptides 6JKZ and 6KMF are suitable for vaccine development. B- and T-cell epitopes from 6KMF and 6JKZ were detected and evaluated based on critical factors to produce a multi-epitope vaccine construct. It was assessed based on allergenicity, antigenicity, stability. The vaccine's dual major histocompatibility complex (MHC-I and MHC-II) binding epitopes allowed it to reach a larger population. P. gingivalis fimbriae induce immune subversion through TLR -CXCR4 receptor complex pathway. The ClusPro 2.0 server was used to do the molecular docking using TLR2 - CXCR4 and vaccine epitopes as receptor and ligand respectively.

Results

The designed vaccine was non-allergenic and had a high antigenicity, solubility, and stability. The 3D structure of the vaccine revealed strong interaction with CXCR4(TLR2) using molecular docking. The vaccine-CXCR4 interface was more consistent, possibly because the vaccination has a higher affinity for the CXCR4-TLR2 complex.

Conclusion

This study details the vaccine's distinct and sustained interaction with the CXCR4(TLR2) immunological receptor and its consistent and effective utterance in the bacterial system. As a result, our vaccine formulation will evoke a significant memory response and induce an adaptive immune response against P. gingivalis.



中文翻译:


使用结构生物学方法设计种植体周围炎的免疫信息疫苗


 目标


种植体周围炎是一种破坏性炎症过程,会影响牙种植体周围的软组织和硬组织。牙龈卟啉单胞菌(一种厌氧革兰氏阴性细菌)似乎是罪魁祸首。由于没有有效且特异性的疫苗来治疗种植体周围炎,我们的研究目标是利用免疫信息学方法开发针对 I 型牙龈卟啉单胞菌的多表位疫苗接种。

 材料和方法


牙龈卟啉单胞菌肽 6JKZ 和 6KMF 适用于疫苗开发。根据生产多表位疫苗构建体的关键因素,检测并评估了 6KMF 和 6JKZ 的 B 细胞和 T 细胞表位。根据过敏原性、抗原性、稳定性进行评估。该疫苗的双重主要组织相容性复合体(MHC-I 和 MHC-II)结合表位使其能够接触到更大的人群。 P. gingivalis fimbriae 通过 TLR -CXCR4 受体复合物途径诱导免疫破坏。采用ClusPro 2.0服务器分别以TLR2-CXCR4和疫苗表位作为受体和配体进行分子对接。

 结果


设计的疫苗无致敏性,具有高抗原性、溶解性和稳定性。通过分子对接,疫苗的 3D 结构揭示了与 CXCR4(TLR2)的强烈相互作用。疫苗-CXCR4界面更加一致,可能是因为疫苗对CXCR4-TLR2复合物具有更高的亲和力。

 结论


这项研究详细介绍了疫苗与 CXCR4(TLR2) 免疫受体的独特且持续的相互作用及其在细菌系统中一致且有效的表达。因此,我们的疫苗配方将唤起显着的记忆反应并诱导针对牙龈卟啉单胞菌的适应性免疫反应。

更新日期:2021-09-17
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