[In silico analysis of Cit s 2: A highly conserved profilin].

Velky Ahumada, Nayelys Peña, Nestor Herrera, Juan Urrego
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Abstract

Objective: Analyze phylogenetic relationships and molecular mimicry of Cit s 2 and other plant profilins.

Methods: Online bioinformatics tools including Basic Local Alignment Search Tool (BLASTP), PRALINE and MEGA were used for multiple alignments and phylogenetic analysis. A 3D-homology model of Cit s 2 was predicted. Models were calculated with MODELLER. The best model was selected with the model scoring option of MAESTRO. Conserved regions between Cit s 2 and other profilins were located on the 3D model and antigenic regions were predicted by ElliPro server (3-5).

Results: Cit s 2 amino acid sequence (Uniprot code:P84177) was compared with other 30 profilins from different allergenic sources. The identity between Cit s 2 and other profilins ranged between 82 and 99%. The highest identity was observed with Cucumis melo (99%) followed by Prunus persica (98%) and Malus domestica (92%). High conserved antigenic regions were observed on the 3D predicted model. Seven lineal and six discontinuous epitopes were found in Cit s 2.

Conclusion: High conserved antigenic regions were observed on the 3D predicted model of Cit s 2, which might involve potential cross-reactivity between Cit s 2 and other profilins. Future studies are needed to further analyze these results.

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[Cit s 2:一种高度保守的异形蛋白的硅学分析]。
目的分析 Cit s 2 和其他植物侧索蛋白的系统发育关系和分子模拟:使用在线生物信息学工具,包括基本局部比对搜索工具(BLASTP)、PRALINE和MEGA,进行多重比对和系统进化分析。预测了 Cit s 2 的三维同源模型。模型用 MODELLER 计算。利用 MAESTRO 的模型评分选项选出了最佳模型。Cit s 2与其他profilins之间的保守区被定位在三维模型上,抗原区则由ElliPro服务器(3-5)预测:将 Cit s 2 的氨基酸序列(Uniprot 代码:P84177)与来自不同过敏源的其他 30 种异尖蛋白进行了比较。Cit s 2 与其他 profilins 之间的同一性介于 82% 与 99% 之间。与甜瓜的同一性最高(99%),其次是柿子(98%)和苹果(92%)。在三维预测模型上观察到了高度保守的抗原区域。在 Cit s 2 中发现了 7 个线性表位和 6 个不连续表位:在 Cit s 2 的三维预测模型上观察到了高保守抗原区,这可能涉及 Cit s 2 与其他 profilins 之间潜在的交叉反应。未来的研究需要进一步分析这些结果。
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