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Compound I18 exhibited potent NtPPO inhibition (Ki = 10.9 nM) and broad-spectrum herbicidal activity comparable to saflufenacil, providing 100% control of 29 weeds at 75 g a.i.\/ha. It also showed improved crop safety, causing only 30% peanut injury and thus being safer than saflufenacil (80% injury), while exhibiting low toxicity to zebrafish and earthworms. Molecular docking revealed hydrophobic interactions with Leu356, Leu372, and Phe392, along with two unique side-chain hydrogen bonds involving Arg98 and Ser235. Its calculated binding free energy (\u0394Gcal = \u221230.579 kcal\/mol) was more favorable than that of saflufenacil (\u221225.386 kcal\/mol). These findings identify I18 as a promising, effective, and environmentally compatible PPO inhibitor for weed management.<\/jats:p>","DOI":"10.1021\/acs.jafc.6c01948","type":"journal-article","created":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T15:04:56Z","timestamp":1789743896000},"page":"29920-29931","source":"Crossref","is-referenced-by-count":0,"title":["Discovery of Pyrimidinedione Derivatives Containing\nOxime Ester\/Carbamate Fragments as Potent Protoporphyrinogen IX Oxidase\nInhibitors"],"prefix":"10.1021","volume":"74","author":[{"given":"Wei","family":"Zhang","sequence":"first","affiliation":[{"name":"Center for R&D of Fine Chemicals of Guizhou University , , ,","place":["Guiyang, PR China, 550025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Keshi","family":"Luo","sequence":"additional","affiliation":[{"name":"Center for R&D of Fine Chemicals of Guizhou University , , ,","place":["Guiyang, PR China, 550025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Di","family":"Li","sequence":"additional","affiliation":[{"name":"Center for R&D of Fine Chemicals of Guizhou University , , ,","place":["Guiyang, PR China, 550025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xianying","family":"Tang","sequence":"additional","affiliation":[{"name":"Center for R&D of Fine Chemicals of Guizhou University , , ,","place":["Guiyang, PR China, 550025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4070-0824","authenticated-orcid":true,"given":"Xiuhai","family":"Gan","sequence":"additional","affiliation":[{"name":"Center for R&D of Fine Chemicals of Guizhou University , , ,","place":["Guiyang, PR China, 550025"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,18]]},"reference":[{"key":"2026093009071598200_cit1","doi-asserted-by":"publisher","first-page":"561","DOI":"10.1007\/s11103-019-00925-8","article-title":"Characterization\nof hemY-type protoporphyrinogen IX oxidase genes from cyanobacteria\nand their functioning in transgenic Arabidopsis","volume":"101","author":"Yoon","year":"2019","journal-title":"Plant Mol. 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