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Here, we explored the structure\u2010activity relationship of 4\u2010PSQ and its analogues: 7\u2010chloro\u20104\u2010[(4\u2010fluorophenyl) selanyl]quinoline (<jats:bold>a<\/jats:bold>), 7\u2010chloro\u20104\u2010{[3\u2010trifluoromethyl)phenyl] selanyl} quinoline (<jats:bold>b<\/jats:bold>), 4\u2010((3,5\u2010Bis(trifluoromethyl)phenyl) selanyl\u20107\u2010chloroquinoline (<jats:bold>c<\/jats:bold>), 7\u2010chloro\u20104\u2010[(2,4,6\u2010trimethyl)selanyl]quinolinic acid (<jats:bold>d<\/jats:bold>) and 7\u2010chloroquinoline\u20104\u2010selenium acid (<jats:bold>e<\/jats:bold>) in models of acute inflammation and chemical, thermal and mechanical nociception in mice, alongside in silico analysis. Compounds <jats:bold>a<\/jats:bold> (\u2212<jats:bold>F<\/jats:bold>), <jats:bold>b<\/jats:bold> (\u2212<jats:bold>CF<jats:sub>3<\/jats:sub><\/jats:bold>), <jats:bold>c<\/jats:bold> (\u2212<jats:bold>Bis\u2010CF<jats:sub>3<\/jats:sub><\/jats:bold>), <jats:bold>d<\/jats:bold> (\u2212<jats:bold>CH<jats:sub>3<\/jats:sub><\/jats:bold>), <jats:bold>e<\/jats:bold> (\u2212<jats:bold>OOH<\/jats:bold>), and <jats:bold>4\u2010PSQ<\/jats:bold> exhibited antinociceptive effects in chemical and thermal nociception models, except <jats:bold>d<\/jats:bold> (\u2212<jats:bold>CH<jats:sub>3<\/jats:sub><\/jats:bold>) and <jats:bold>e<\/jats:bold> (\u2212<jats:bold>OOH<\/jats:bold>) in the hot plate test. None induced locomotor changes. In silico, only <jats:bold>c<\/jats:bold> (\u2212<jats:bold>Bis\u2010CF<jats:sub>3<\/jats:sub><\/jats:bold>) showed low gastrointestinal absorption, and <jats:bold>c<\/jats:bold> (\u2212<jats:bold>Bis\u2010CF<jats:sub>3<\/jats:sub><\/jats:bold>) and <jats:bold>e<\/jats:bold> (\u2212<jats:bold>OOH<\/jats:bold>) lacked blood\u2010brain barrier penetration, suggesting <jats:bold>e<\/jats:bold> (\u2212<jats:bold>OOH<\/jats:bold>) lacked central antinociceptive effect. These compounds had higher COX\u20102 affinity than COX\u20101. Our findings suggest substituent insertion alters 4\u2010PSQ's efficacy as an antinociceptive and anti\u2010inflammatory agent.<\/jats:p>","DOI":"10.1002\/cbdv.202301246","type":"journal-article","created":{"date-parts":[[2024,10,21]],"date-time":"2024-10-21T13:48:58Z","timestamp":1729518538000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Structure\u2010Activity Relationship of 7\u2010Chloro\u20104\u2010(Phenylselanyl) Quinoline: Novel Antinociceptive and Anti\u2010Inflammatory Effects in Mice"],"prefix":"10.1002","volume":"22","author":[{"given":"Vanessa M. 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