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Currently, no commercial herbicides target DHAD, and no inhibitors are in development. Structural analysis suggests that coordination with iron\u2013sulfur clusters and hydrophobic interactions with Tyr215 and Phe181 are crucial for inhibitor binding. Based on this model, we designed and synthesised derivatives\n                    <jats:bold>4aa\u20134bb<\/jats:bold>\n                    with a benzoxazinone ring. Compound\n                    <jats:bold>4bb<\/jats:bold>\n                    effectively inhibited\n                    <jats:italic>Arabidopsis<\/jats:italic>\n                    seed germination at 50\u2009\u03bcg\/mL, reversible by BCAA supplementation. In\u00a0vitro,\n                    <jats:bold>4bb<\/jats:bold>\n                    showed a stronger binding affinity to DHAD (\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>d<\/jats:sub>\n                    \u2009=\u200983.18\u2009\u03bcM) than AHAS (\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>d<\/jats:sub>\n                    \u2009=\u2009132.70\u2009\u03bcM). Compound\n                    <jats:bold>4bb<\/jats:bold>\n                    exhibits minimal side effects on wheat seed germination at lower concentrations while ensuring high safety for rice at higher dosages during post\u2010emergence treatment. Greenhouse tests revealed over 75% inhibition of broadleaf weeds such as\n                    <jats:styled-content style=\"fixed-case\">\n                      <jats:italic>Eclipta prostrata<\/jats:italic>\n                    <\/jats:styled-content>\n                    and\n                    <jats:styled-content style=\"fixed-case\">\n                      <jats:italic>Amaranthus retroflexus<\/jats:italic>\n                    <\/jats:styled-content>\n                    . The selectivity between crops and weeds is not due to species\u2010specific DHAD differences. Safety assessments showed no significant toxicity to human cell lines and microorganisms. This study confirms DHAD as a viable herbicide target and offers a structural basis for optimising inhibitors, positioning\n                    <jats:bold>4bb<\/jats:bold>\n                    as a lead compound for new herbicides.\n                  <\/jats:p>","DOI":"10.1111\/pbi.70369","type":"journal-article","created":{"date-parts":[[2025,9,16]],"date-time":"2025-09-16T11:31:21Z","timestamp":1758022281000},"page":"567-581","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["De Novo Design and Synthesis of Novel Benzoxazinone Derivatives Targeting Dihydroxyacid Dehydratase"],"prefix":"10.1111","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7739-5579","authenticated-orcid":false,"given":"Bo","family":"He","sequence":"first","affiliation":[{"name":"State Key Laboratory of Agricultural and Forestry Biosecurity, State and Local Joint Engineering Research Center of Green Pesticide Invention and Application, College of Plant Protection Nanjing Agricultural University  Nanjing China"},{"name":"Key Laboratory of Integrated Management of Crop Diseases and Pests Ministry of Education  Nanjing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yanhao","family":"Hu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Agricultural and Forestry Biosecurity, State and Local Joint Engineering Research Center of Green Pesticide Invention and Application, College of Plant Protection Nanjing Agricultural University  Nanjing China"},{"name":"Key Laboratory of Integrated Management of Crop Diseases and Pests Ministry of Education  Nanjing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xu","family":"He","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Agricultural and Forestry Biosecurity, State and Local Joint Engineering Research Center of Green Pesticide Invention and Application, College of Plant Protection Nanjing Agricultural University  Nanjing China"},{"name":"Key Laboratory of Integrated Management of Crop Diseases and Pests Ministry of Education  Nanjing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wang","family":"Chen","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Agricultural and Forestry Biosecurity, State and Local Joint Engineering Research Center of Green Pesticide Invention and Application, College of Plant Protection Nanjing Agricultural University  Nanjing China"},{"name":"Key Laboratory of Integrated Management of Crop Diseases and Pests Ministry of Education  Nanjing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Yan","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Agricultural and Forestry Biosecurity, State and Local Joint Engineering Research Center of Green Pesticide Invention and Application, College of Plant Protection Nanjing Agricultural University  Nanjing China"},{"name":"Key Laboratory of Integrated Management of Crop Diseases and Pests Ministry of Education  Nanjing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin","family":"Zang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Chemical Biology, Center for Excellence in Molecular Synthesis Shanghai Institute of Organic Chemistry, CAS  Shanghai China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiahai","family":"Zhou","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Chemical Biology, Center for Excellence in Molecular Synthesis Shanghai Institute of Organic Chemistry, CAS  Shanghai China"},{"name":"School of Food Science and Pharmaceutical Engineering Nanjing Normal University  Nanjing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3538-6006","authenticated-orcid":false,"given":"Yonghao","family":"Ye","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Agricultural and Forestry Biosecurity, State and Local Joint Engineering Research Center of Green Pesticide Invention and Application, College of Plant Protection Nanjing Agricultural University  Nanjing China"},{"name":"Key Laboratory of Integrated Management of Crop Diseases and Pests Ministry of Education  Nanjing 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