{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T03:55:31Z","timestamp":1790567731029,"version":"4.1.0"},"reference-count":34,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2026,8,14]],"date-time":"2026-08-14T00:00:00Z","timestamp":1786665600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,8,14]],"date-time":"2026-08-14T00:00:00Z","timestamp":1786665600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J of Molecular Recognition"],"published-print":{"date-parts":[[2026,9]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Lactoperoxidase (LPO) is a heme\u2010containing enzyme widely distributed in mammalian secretions, contributing to host defense through the generation of antimicrobial oxidants. Unintended inhibition of LPO by therapeutic agents may impair mucosal immunity, making the investigation of potential inhibitors clinically relevant. In this study, the inhibitory effects of 11 acetohydrazide\u2010based sulfonamide derivatives on bovine milk LPO were investigated using combined biochemical and computational approaches. The compounds exhibited diverse inhibition profiles, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values ranging from 2.32\u2009\u00b1\u20090.14 to 13.4\u2009\u00b1\u20092.05\u2009\u03bcM. The corresponding\n                    <jats:italic>K\u1d62<\/jats:italic>\n                    values were determined in the low micromolar range, varying from 1.25\u2009\u00b1\u20090.05 to 7.53\u2009\u00b1\u20090.03\u2009\u03bcM. Among them,\n                    <jats:bold>4b\u20102<\/jats:bold>\n                    (3\u2010pyridyl) and 4a\u20105 (2\u2010naphthyl) derivatives were identified as the most potent inhibitors, acting through a competitive inhibition mechanism with low micromolar\n                    <jats:italic>K\u1d62<\/jats:italic>\n                    values. The binding mechanisms of relatively active compounds in the enzymatic assay were explored through molecular modeling. The docking study disclosed that compounds\n                    <jats:bold>4a\u20105<\/jats:bold>\n                    and\n                    <jats:bold>4b\u20102<\/jats:bold>\n                    would show higher binding potential to the LPO structure. The two compounds formed stable complexes with the enzyme structure according to the molecular dynamics (MD) simulation study. These interactions were mainly governed by hydrogen bonding and \u03c0\u2013\u03c0 stacking interactions involving key residues in the heme\u2010containing active site, supporting a competitive binding mode consistent with the kinetic data. Overall, the combined biochemical and computational findings suggest that acetohydrazide\u2010based sulfonamides represent promising scaffolds for the development of potent and selective LPO inhibitors and provide new insights into the molecular recognition patterns governing their interaction with the LPO active site.\n                  <\/jats:p>","DOI":"10.1002\/jmr.70044","type":"journal-article","created":{"date-parts":[[2026,8,15]],"date-time":"2026-08-15T03:26:40Z","timestamp":1786764400000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Inhibition and Molecular Recognition of Lactoperoxidase by Acetohydrazide\u2010Based Sulfonamide Derivatives"],"prefix":"10.1002","volume":"39","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8548-9703","authenticated-orcid":false,"given":"Ba\u015fak","family":"G\u00f6k\u00e7e","sequence":"first","affiliation":[{"name":"Department of Biochemistry, Faculty of Pharmacy 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