Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico.
Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico.
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麸质表位的热处理和酸处理影响 HLA-DQ2 的计算机识别
DOI：
10.3389/fnut.2021.647750
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发表时间：
2021
影响因子：
5
通讯作者：
Yang D
中科院分区：
文献类型：
--
作者：
Gao J;Du H;Zhou Z;Liang Z;Liang H;Zhang P;Wei X;Liu S;Fu L;Wang Y;Che H;Xue W;Xin F;Yang D
乳糜泻（CD）是一种具有自身免疫特征的常见疾病。小麦面筋蛋白（包括麦醇溶蛋白和谷蛋白）的饮食暴露于小肠激活面筋反应性CD 4 + T细胞和控制疾病的发展。虽然人类白细胞抗原（HLA）是这种多基因疾病的单一最重要的遗传因素，但HLA-DQ 2识别麸质是CD患者的主要生物学步骤。谷蛋白表位通常富含Pro并且共享相似的一级序列。在这里，我们模拟了不同pH值和温度下的各种面筋表位的溶液结构的变化，以模拟发酵和烘焙/烹饪过程。基于HLA-DQ 2的晶体结构，在计算机上研究了不同加工的谷蛋白表位与DQ 2的结合。本研究揭示了发酵过程中的加热和pH变化影响面筋表位的溶液结构。然而，不同处理的谷蛋白表位肽（GEP）与HLA-DQ 2的结合主要取决于其一级氨基酸序列，特别是在其被HLA-DQ 2识别中起关键作用的酸性氨基酸残基。
Celiac disease (CD) is a prevalent disorder with autoimmune features. Dietary exposure of wheat gluten (including gliadins and glutenins) to the small intestine activates the gluten-reactive CD4+ T cells and controls the disease development. While the human leukocyte antigen (HLA) is the single most important genetic factor of this polygenic disorder, HLA-DQ2 recognition of gluten is the major biological step among patients with CD. Gluten epitopes are often rich in Pro and share similar primary sequences. Here, we simulated the solution structures changes of a variety of gluten epitopes under different pH and temperatures, to mimic the fermentation and baking/cooking processes. Based on the crystal structure of HLA-DQ2, binding of differently processed gluten epitopes to DQ2 was studied in silico. This study revealed that heating and pH change during the fermentation process impact the solution structure of gluten epitope. However, binding of differently treated gluten epitope peptide (GEP) to HLA-DQ2 mainly depended on its primary amino acid sequence, especially acidic amino acid residues that play a pivotal role in their recognition by HLA-DQ2.
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影响因子：
4.4
作者：
Johansen, BH;Vartdal, F;Sollid, LM
通讯作者：
Sollid, LM
影响因子：
168.9
作者：
Corrao, G;Corazza, GR;Certo, M
通讯作者：
Certo, M
影响因子：
56.9
作者：
Shan, L;Molberg, O;Khosla, C
通讯作者：
Khosla, C
影响因子：
3.2
作者：
Plugis, Nicholas M.;Khosla, Chaitan
通讯作者：
Khosla, Chaitan
影响因子：
3.4
作者：
Haraldsdottir, H. S.;Thiele, I.;Fleming, R. M. T.
通讯作者：
Fleming, R. M. T.