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Oxygen-substituted biaryl-pyridine derivatives were designed and synthesized through scaffold optimization. Greenhouse assays identified several compounds with strong postemergence activity at 150 g\/ha. Compound 6a retained 75% inhibition against three broadleaf weeds at 9.375 g\/ha and caused generally less crop injury than acifluorfen. No mortality or behavioral abnormalities were observed in honey bees treated with 6a or (\u00b1)-6b at 100 \u03bcg\/bee. Molecular docking, molecular dynamics simulations, and molecular mechanics\/Poisson\u2013Boltzmann surface area (MM-PBSA) analyses supported stable interactions of 6a and an (R)-6b model with Nicotiana tabacum PPO (NtPPO). Surface plasmon resonance (SPR) confirmed direct binding of 6a and (\u00b1)-6b to NtPPO, with KD values of 41.20 and 38.60 nM, respectively. Density functional theory (DFT) calculations further supported 6a as a promising herbicidal lead.<\/jats:p>","DOI":"10.1021\/acs.jafc.6c10957","type":"journal-article","created":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T07:04:55Z","timestamp":1790060695000},"page":"30665-30675","source":"Crossref","is-referenced-by-count":0,"title":["Design, Synthesis,\nand Biological Evaluation of Novel\nBiaryl-pyridine Derivatives with Potent Postemergence Herbicidal Activity"],"prefix":"10.1021","volume":"74","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-5818-7319","authenticated-orcid":true,"given":"Chujian","family":"Ma","sequence":"first","affiliation":[{"name":"Central South University of Forestry and Technology , , ,","place":["Changsha, Hunan, P. R. China, 410004"]},{"name":"Yuelushan Laboratory , , , ,","place":["Changsha, Hunan, P. R. 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