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To translate HPPD inhibitors into effective herbicide candidates, we developed a metabolism-oriented design strategy to improve the in vivo efficacy of triketone\u2013quinoline HPPD inhibitors. By shielding the metabolic hotspots within the scaffold, we discovered a series of new analogues with broadly improved postemergence herbicidal activity and substantially enhanced inhibition of Arabidopsis thaliana HPPD (AtHPPD). Notably, 9i showed a Ki value of 0.0012 \u03bcM toward AtHPPD, outperforming mesotrione by an order of magnitude. 11b not only exhibited excellent weed control at 15.625\u2013250 g ai\/ha, but also showed high crop safety to wheat at 250 g ai\/ha. Molecular simulations showed that quinoline substitutions could enhance \u03c0\u2013\u03c0 interactions with Phe360 and Phe403, improving bioactivity. Our work establishes a metabolism-guided optimization framework for herbicide discovery and provides a promising wheat-selective herbicide candidate.<\/jats:p>","DOI":"10.1021\/acs.jafc.5c15585","type":"journal-article","created":{"date-parts":[[2026,7,14]],"date-time":"2026-07-14T17:58:05Z","timestamp":1784051885000},"page":"22507-22518","source":"Crossref","is-referenced-by-count":0,"title":["Shielding Metabolic\nHotspots in the Triketone\u2013Quinoline\nScaffold Yields Potent 4-Hydroxyphenylpyruvate Dioxygenase\nInhibitors"],"prefix":"10.1021","volume":"74","author":[{"given":"Min","family":"Li","sequence":"first","affiliation":[{"name":"Central China Normal University , , ,","place":["Wuhan, P. R. China, 430079"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Han","family":"Xiao","sequence":"additional","affiliation":[{"name":"Central China Normal University , , ,","place":["Wuhan, P. R. 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