{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T22:23:37Z","timestamp":1789424617757,"version":"build-2803163510"},"reference-count":45,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2019,3,25]],"date-time":"2019-03-25T00:00:00Z","timestamp":1553472000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Journal of Peptide Science"],"published-print":{"date-parts":[[2019,5]]},"abstract":"<jats:p>Inflammation of intestinal tissue in patients affected by celiac disease (CD) originates from the adaptive and innate immune responses elicited by the undigested gliadin fragments through molecular mechanisms not yet completely described. Undigested A\u2010gliadin peptide P31\u201043 is central to CD pathogenesis, entering enterocytes in vesicular compartments by endocytosis and inducing an innate immune response in CD intestinal mucosa. This study focused on the reasons why P31\u201043 does not behave as adaptive immunogenic agent. Once obtained by NMR analysis, the three\u2010dimensional model of P31\u201043 was used to implement a series of in silico experiments aimed to explore the ability of the peptide to interact with HLA\u2010DQ2 and the corresponding receptor onto T cells. Our results show that P31\u201043 is a poor ligand for DQ2 and\/or T\u2010cell receptor. This study was also aimed to investigate, from a structural point of view, the previous experimental findings by which P31\u201043 is able to enhance the phosphorylation level of the protein ERK2, while some P31\u201043 Ala\u2010mutants decrease or totally inhibit that process. The molecular models of P31\u201043, P31\u201043 P36A, and F37A mutants were used for in silico docking experiments onto the ERK2 structure. The experiments support the hypothesis that P31\u201043 F37A works as an ERK2 phosphorylation inhibitor because it binds to the ERK2 phosphorylation site. This study reports on the structural properties of so far never NMR characterized gliadin peptides relevant in CD and explores details about their mechanisms of action.<\/jats:p>","DOI":"10.1002\/psc.3161","type":"journal-article","created":{"date-parts":[[2019,3,26]],"date-time":"2019-03-26T01:51:26Z","timestamp":1553565086000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":21,"title":["Structural insights on P31\u201043, a gliadin peptide able to promote an innate but not an adaptive response in celiac disease"],"prefix":"10.1002","volume":"25","author":[{"given":"Luisa","family":"Calvanese","sequence":"first","affiliation":[{"name":"CIRPeB University of Naples Federico II  80134 Naples Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Merlin","family":"Nanayakkara","sequence":"additional","affiliation":[{"name":"Department of Translational Medical Science (section of Pediatrics) and ELFID (European Laboratory for the Investigation of Food Induced Diseases) University Federico II  80131 Naples Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rosita","family":"Aitoro","sequence":"additional","affiliation":[{"name":"Department of Translational Medical Science (section of Pediatrics) and ELFID (European Laboratory for the Investigation of Food Induced Diseases) University Federico II  80131 Naples Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marina","family":"Sanseverino","sequence":"additional","affiliation":[{"name":"INBIOS srl Via P. 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