Department of Botany, Hansraj College, University of Delhi, Delhi 110007, India; Francis Crick Institute, 1 Midland Road, London NW1 1AT, United Kingdom; Division of Biosciences, University College London, London WC1E 6BT, United Kingdom.
Department of Botany, Hansraj College, University of Delhi, Delhi 110007, India.
Int J Biol Macromol. 2020 Aug 15;157:659-672. doi: 10.1016/j.ijbiomac.2019.11.223. Epub 2019 Nov 29.
Pathogenesis related (PR) proteins are defensins expressed upon biotic and abiotic stress by plants. They are also synthesized in specific plant parts such as root, stem, leaves, pollen grains and fruits. According to the current classification, there are 19 different classes of PR-Proteins, 8 out of 19 are proven to exhibit allergic reactions in human. Here, we carried out the allergenicity potential test for the remaining 11 classes of PR-Proteins using in-silico approaches. Our analysis suggests that the other 11 families also have the allergenic potential. We modelled the proteins for which our predictions suggested them to be allergens and for which the crystal structures were not available. We then predicted the B-cell epitope binding regions for all the proteins and used molecular docking approach to study the allergen-antibody interaction. Our findings suggest that all the selected proteins (belonging to 11 families of PR) analysed, can potentially be classified as allergens. We also provide evidence that the number of IgE binding-residues in the allergens is correlated with their respective binding energies with the IgE molecule. This study will be highly relevant to understand the allergenic potential of PR-Proteins to make an informed decision about the consumption of food with high degree of PR-expression.
植物在受到生物和非生物胁迫时会表达与发病机制相关（PR）的蛋白质，这些蛋白质也存在于植物的特定部位，如根、茎、叶、花粉粒和果实中。根据目前的分类，PR 蛋白有 19 种不同的类型，其中 8 种已被证明会引起人类过敏反应。在这里，我们使用计算机模拟的方法对其余 11 种 PR 蛋白进行了潜在的变应原性测试。我们的分析表明，其他 11 个家族也具有潜在的变应原性。我们对预测为变应原但缺乏晶体结构的蛋白进行了建模。然后，我们预测了所有蛋白的 B 细胞表位结合区域，并使用分子对接方法研究了变应原-抗体的相互作用。我们的研究结果表明，在所分析的所有选定蛋白（属于 PR 的 11 个家族）都可能被归类为变应原。我们还提供了证据表明，变应原中与 IgE 结合的残基数与它们与 IgE 分子的结合能相关。这项研究对于理解 PR 蛋白的变应原性潜力具有重要意义，有助于在食用高 PR 表达的食物时做出明智的决策。
