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However, their widespread application is hindered by the allergenic potential, particularly phospholipase A2 (PLA2), a highly immunoreactive allergen prevalent in edible insects such as ants and honeybees. Objective: This study systematically investigated the molecular mechanism underlying quercetin-mediated reduction in PLA2 allergenicity, aiming to establish a novel strategy for developing hypoallergenic insect protein resources. Methods and Results: Through integrated computational and experimental approaches, we identified quercetin\u2019s dual non-covalent and covalent binding capabilities with PLA2. Molecular docking revealed robust interactions (the binding energy of \u22126.49 kcal\/mol) within the catalytic pocket. Meanwhile, mass spectrometry specifically identified Cys37 as the covalent modification site, which can bind to quercetin and increase the gyration radius (Rg) of PLA2 within 75\u2013125 ns. Molecular dynamics simulations illustrated quercetin-induced conformational changes affecting critical antigenic epitopes. Murine experiments further confirmed that quercetin-modified PLA2 exhibited significantly reduced IgE reactivity and allergic responses compared to native PLA2, as demonstrated by assessments of anaphylactic behavior, histopathological changes, and measurements of serum IgE antibody and biogenic amine levels. Conclusions: Collectively, these findings provide a transformative approach to safely utilize insect-derived proteins for sustainable nutrition solutions.<\/jats:p>","DOI":"10.3390\/nu17172872","type":"journal-article","created":{"date-parts":[[2025,9,4]],"date-time":"2025-09-04T15:31:21Z","timestamp":1756999881000},"page":"2872","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Detoxification of Insect-Derived Allergen PLA2 via Quercetin Modification: Molecular Simulation and Animal Validation"],"prefix":"10.3390","volume":"17","author":[{"given":"Fukai","family":"Li","sequence":"first","affiliation":[{"name":"Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100081, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Liming","family":"Wu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Resource Insects, Institute of Apicultural Research, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100093, China"},{"name":"Hainan Academy of Agricultural Sciences, Haikou 571100, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Min","family":"Wang","sequence":"additional","affiliation":[{"name":"Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100081, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Enning","family":"Zhou","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Resource Insects, Institute of Apicultural Research, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9898-1238","authenticated-orcid":false,"given":"Fei","family":"Pan","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Resource Insects, Institute of Apicultural Research, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jian","family":"Zhou","sequence":"additional","affiliation":[{"name":"Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100081, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mengrui","family":"Yang","sequence":"additional","affiliation":[{"name":"Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100081, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6745-1752","authenticated-orcid":false,"given":"Tongtong","family":"Wang","sequence":"additional","affiliation":[{"name":"Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100081, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Liang","family":"Li","sequence":"additional","affiliation":[{"name":"Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100081, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5590-1744","authenticated-orcid":false,"given":"Qiangqiang","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Resource Insects, Institute of Apicultural Research, Chinese Academy of Agricultural Sciences (CAAS), Beijing 100093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,9,4]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Quah, Y., Tong, S.R., Bojarska, J., Giller, K., Tan, S.A., Ziora, Z.M., Esatbeyoglu, T., and Chai, T.T. 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