Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico
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...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2021-05-01
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| Series: | Frontiers in Nutrition |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fnut.2021.647750/full |
| _version_ | 1818606464011337728 |
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| author | Jihui Gao Haolan Du Zekun Zhou Zhongxin Liang Hongrui Liang PeiAo Zhang Xue Wei Shujun Liu Linglin Fu Yanbo Wang Huilian Che Wentong Xue Fengjiao Xin Dong Yang |
| author_facet | Jihui Gao Haolan Du Zekun Zhou Zhongxin Liang Hongrui Liang PeiAo Zhang Xue Wei Shujun Liu Linglin Fu Yanbo Wang Huilian Che Wentong Xue Fengjiao Xin Dong Yang |
| author_sort | Jihui Gao |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-16T14:11:16Z |
| format | Article |
| id | doaj.art-0ad05423f281416a9cef0b78e90a171b |
| institution | Directory Open Access Journal |
| issn | 2296-861X |
| language | English |
| last_indexed | 2024-12-16T14:11:16Z |
| publishDate | 2021-05-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Nutrition |
| spelling | doaj.art-0ad05423f281416a9cef0b78e90a171b2022-12-21T22:28:46ZengFrontiers Media S.A.Frontiers in Nutrition2296-861X2021-05-01810.3389/fnut.2021.647750647750Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silicoJihui Gao0Haolan Du1Zekun Zhou2Zhongxin Liang3Hongrui Liang4PeiAo Zhang5Xue Wei6Shujun Liu7Linglin Fu8Yanbo Wang9Huilian Che10Wentong Xue11Fengjiao Xin12Dong Yang13Beijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaInstitute of Food Science and Technology, Chinese Academy of Agricultural Sciences, Beijing, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaInstitute of Food Science and Technology, Chinese Academy of Agricultural Sciences, Beijing, ChinaInstitute of Food Science and Technology, Chinese Academy of Agricultural Sciences, Beijing, ChinaFood Safety Key Laboratory of Zhejiang Province, School of Food Science and Biotechnology, Zhejiang Gongshang University, Hangzhou, ChinaFood Safety Key Laboratory of Zhejiang Province, School of Food Science and Biotechnology, Zhejiang Gongshang University, Hangzhou, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaInstitute of Food Science and Technology, Chinese Academy of Agricultural Sciences, Beijing, ChinaBeijing Key Laboratory of Functional Food From Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing, ChinaCeliac 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.https://www.frontiersin.org/articles/10.3389/fnut.2021.647750/fullglutenepitopeimmunogenecitypeptideHLA-DQ2 |
| spellingShingle | Jihui Gao Haolan Du Zekun Zhou Zhongxin Liang Hongrui Liang PeiAo Zhang Xue Wei Shujun Liu Linglin Fu Yanbo Wang Huilian Che Wentong Xue Fengjiao Xin Dong Yang Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico Frontiers in Nutrition gluten epitope immunogenecity peptide HLA-DQ2 |
| title | Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico |
| title_full | Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico |
| title_fullStr | Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico |
| title_full_unstemmed | Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico |
| title_short | Thermal and Acidic Treatments of Gluten Epitopes Affect Their Recognition by HLA-DQ2 in silico |
| title_sort | thermal and acidic treatments of gluten epitopes affect their recognition by hla dq2 in silico |
| topic | gluten epitope immunogenecity peptide HLA-DQ2 |
| url | https://www.frontiersin.org/articles/10.3389/fnut.2021.647750/full |
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