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In this work, a series of cyclohexenone derivatives containing a substituted pyrazole group were designed and synthesized by active fragment splicing method for screening new HPPD inhibitors.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>RESULTS<\/jats:title>\n                    <jats:p>\n                      The bioassay results indicated that some target compounds exhibited noticeable inhibitory activity against\n                      <jats:italic>Capsella bursa\u2010pastoris<\/jats:italic>\n                      (\n                      <jats:italic>CB<\/jats:italic>\n                      ),\n                      <jats:italic>Portulaca oleracea<\/jats:italic>\n                      (\n                      <jats:italic>PO<\/jats:italic>\n                      ),\n                      <jats:italic>Echinochloa crus\u2010galli<\/jats:italic>\n                      (\n                      <jats:italic>EC<\/jats:italic>\n                      ) and\n                      <jats:italic>Setaria viridis<\/jats:italic>\n                      (\n                      <jats:italic>SV<\/jats:italic>\n                      ). As an outstanding representative, compound\n                      <jats:bold>8n<\/jats:bold>\n                      showed excellent inhibitory activity against four tested weeds with the rates more than 90% at 225 active ingredient per hectare (a.i.\/ha) dosage, especially with a rate more than 90% against\n                      <jats:italic>CB<\/jats:italic>\n                      at 75 a.i.\/ha dosage, comparable to the control herbicide mesotrione. Compound\n                      <jats:bold>8n<\/jats:bold>\n                      also demonstrated satisfactory safety for the crops wheat, maize, sorghum and rice. Furthermore, the molecular docking, molecular dynamics (MD) simulations and frontier molecular orbital analysis revealed that compound\n                      <jats:bold>8n<\/jats:bold>\n                      had strong interaction with the target protein\n                      <jats:italic>At<\/jats:italic>\n                      HPPD, which could tightly bind with amino acid residues in the active pocket to generate its herbicidal activity.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>CONCLUSION<\/jats:title>\n                    <jats:p>\n                      This study suggested that compound\n                      <jats:bold>8n<\/jats:bold>\n                      could be used as a valuable lead molecular structure for the design of novel HPPD inhibitors, while providing an important foundation for the development of new herbicides. \u00a9 2025 Society of Chemical Industry.\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/ps.70334","type":"journal-article","created":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T07:46:26Z","timestamp":1761983186000},"page":"1887-1898","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Design, synthesis, herbicidal activity evaluation, and molecular docking of novel cyclohexenone derivatives containing pyrazole group as potential\n                    <scp>HPPD<\/scp>\n                    inhibitors"],"prefix":"10.1002","volume":"82","author":[{"ORCID":"https:\/\/orcid.org\/0009-0000-9527-1249","authenticated-orcid":false,"given":"Yu","family":"Liu","sequence":"first","affiliation":[{"name":"Jiangsu Key Laboratory of Pesticide Science, College of Sciences and Key Laboratory of Integrated Management of Crop Diseases and Pests, Ministry of Education Nanjing Agricultural University  Nanjing P. 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