{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,20]],"date-time":"2026-10-20T02:38:51Z","timestamp":1792463931071,"version":"4.5.0"},"reference-count":68,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2023,2,20]],"date-time":"2023-02-20T00:00:00Z","timestamp":1676851200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2023,2,20]],"date-time":"2023-02-20T00:00:00Z","timestamp":1676851200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["iubmb.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Biotech and App Biochem"],"published-print":{"date-parts":[[2023,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    This study reports the facile synthesis of a novel series of benzothiazole\u2010chalcones, in addition to their inhibitory profile on important metabolic enzymes including human carbonic anhydrases (\n                    <jats:italic>h<\/jats:italic>\n                    CA\u2010I,\n                    <jats:italic>h<\/jats:italic>\n                    CA\u2010II) and paraoxonase (PON\u20101). The inhibition parameters, IC\n                    <jats:sub>50<\/jats:sub>\n                    (concentration for 50% inhibition) and Ki (dissociation constant) values, toward the title enzymes were determined for the studied compounds. As a result, IC\n                    <jats:sub>50<\/jats:sub>\n                    values of hydratase activity were in the range 4.15\u20135.47 and 2.56\u20134.58\u00a0\u03bcM for\n                    <jats:italic>h<\/jats:italic>\n                    CA\u2010I and\n                    <jats:italic>h<\/jats:italic>\n                    CA\u2010II, respectively. At the same time, IC\n                    <jats:sub>50<\/jats:sub>\n                    values of esterase activity were in the range 24.91\u2013104.00 and 35.25\u201397.00\u00a0\u03bcM, while Ki values were in the range 14.43\u201359.66 and 26.65\u201373.34\u00a0\u03bcM for\n                    <jats:italic>h<\/jats:italic>\n                    CA\u2010I and\n                    <jats:italic>h<\/jats:italic>\n                    CA\u2010II, respectively. In addition, PON\u20101 enzyme inhibition results showed interesting inhibitory effects, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values between 13.28 and 16.68\u00a0\u03bcM. Finally, a comprehensive approach was established for the synthesized compounds based on theoretical calculations, which have been done using B3LYP, PBE0 theories and SVP, TVZP, TVZPP basis sets, followed by docking studies by which the outputs proved the harmonically flows with the experimental results.\n                  <\/jats:p>","DOI":"10.1002\/bab.2445","type":"journal-article","created":{"date-parts":[[2023,2,1]],"date-time":"2023-02-01T06:31:24Z","timestamp":1675233084000},"page":"1357-1370","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["Synthesis, enzyme inhibition, and molecular docking studies of a novel chalcone series bearing benzothiazole scaffold"],"prefix":"10.1002","volume":"70","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4137-4901","authenticated-orcid":false,"given":"Ahmad Badreddin","family":"Musatat","sequence":"first","affiliation":[{"name":"Department of Chemistry Faculty Sciences, 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