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In this study, a combined in silico approach integrating a scaffold-hopping strategy and three-dimensional quantitative structure\u2013activity relationship (3D-QSAR) models was employed to discover novel meta-diamide derivatives as GABA receptor-targeted insecticides with improved safety profiles. Reliable 3D-QSAR models were constructed based on meta-diamide derivatives developed through a scaffold-hopping strategy, which ultimately enabled the design and synthesis of the novel compound A31. The bioassay results showed that compound A31 displayed good insecticidal activity against Plutella xylostella, with an LC50 value of 0.13 mg\/L, and it demonstrated greater safety for zebrafish. Molecular docking studies confirmed that compound A31 maintained favorable binding modes within the GABA receptor. These findings provide valuable insights into the rational design of environmentally compatible meta-diamide insecticides and offer promising candidates for further experimental validation.<\/jats:p>","DOI":"10.1021\/acs.jafc.6c12171","type":"journal-article","created":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T11:01:20Z","timestamp":1789729280000},"page":"30102-30112","source":"Crossref","is-referenced-by-count":0,"title":["Discovery of Novel Meta-Diamide Derivatives with Improved\nSafety as GABA Receptor-Targeted Insecticides by the Scaffold-Hopping\nStrategy and 3D-QSAR Models"],"prefix":"10.1021","volume":"74","author":[{"given":"Huanan","family":"Zeng","sequence":"first","affiliation":[{"name":"Nankai University , , ,","place":["Tianjin, China, 300071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruiying","family":"Ma","sequence":"additional","affiliation":[{"name":"Nankai University , , ,","place":["Tianjin, China, 300071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yu","family":"Li","sequence":"additional","affiliation":[{"name":"Max (Rudong) Chemicals Co., Ltd , , ,","place":["Rudong, Jiangsu, China, 226407"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lei","family":"Zhou","sequence":"additional","affiliation":[{"name":"Max (Rudong) Chemicals Co., Ltd , , ,","place":["Rudong, Jiangsu, China, 226407"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoyan","family":"Xu","sequence":"additional","affiliation":[{"name":"Max (Rudong) Chemicals Co., Ltd , , ,","place":["Rudong, Jiangsu, China, 226407"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinxin","family":"Xu","sequence":"additional","affiliation":[{"name":"Nankai University , , ,","place":["Tianjin, China, 300071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9798-7021","authenticated-orcid":true,"given":"Ziwen","family":"Wang","sequence":"additional","affiliation":[{"name":"Tianjin Normal University , , ,","place":["Tianjin, China, 300387"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mingzhi","family":"Huang","sequence":"additional","affiliation":[{"name":"Nankai University , , ,","place":["Tianjin, China, 300071"]},{"name":"Max (Rudong) Chemicals Co., Ltd , , ,","place":["Rudong, Jiangsu, China, 226407"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6062-3766","authenticated-orcid":true,"given":"Qingmin","family":"Wang","sequence":"additional","affiliation":[{"name":"Nankai University , , ,","place":["Tianjin, China, 300071"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,18]]},"reference":[{"key":"2026093009082125200_cit1","doi-asserted-by":"publisher","first-page":"1615","DOI":"10.3390\/agronomy14081615","article-title":"Plant disease: A\ngrowing threat to global food security","volume":"14","author":"Gai","year":"2024","journal-title":"Agronomy"},{"key":"2026093009082125200_cit2","doi-asserted-by":"publisher","first-page":"430","DOI":"10.1038\/s41559-018-0793-y","article-title":"The global burden of pathogens and pests on major food\ncrops","volume":"3","author":"Savary","year":"2019","journal-title":"Nat. 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