{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T11:38:42Z","timestamp":1788262722023,"version":"build-2803163510"},"reference-count":42,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2023,7,26]],"date-time":"2023-07-26T00:00:00Z","timestamp":1690329600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100014824","name":"Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, India","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100014824","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Archiv der Pharmazie"],"published-print":{"date-parts":[[2023,10]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Carbonic anhydrase isoforms IX and XII are overexpressed in hypoxic tumor cells regulating various physiological processes such as cell proliferation, invasion, and metastasis, resulting in the onset and spread of cancer. Selective inhibition of these enzymes is a promising strategy for anticancer therapy. Coumarin derivatives were identified as selective and potent inhibitors of these isoforms. This study reports 6\u2010aminocoumarin sulfonamide and oxime ether derivatives linked through a chloroacetyl moiety tethered to piperazine and piperidone, respectively, showing selective inhibition against human carbonic anhydrase (hCA) IX and XII with <jats:italic>K<\/jats:italic><jats:sub>i<\/jats:sub> ranging from 0.51 to 1.18\u2009\u00b5M and 0.89\u20134.43\u2009\u00b5M. While the sulfonamide derivative <jats:bold>8a<\/jats:bold> exhibited submicromolar inhibition against hCA IX and XII with <jats:italic>K<\/jats:italic><jats:sub>i<\/jats:sub> 0.89 and 0.51\u2009\u00b5M, the oxime ether derivatives showed lower activity than the sulfonamides, with the compound <jats:bold>5n<\/jats:bold> inhibiting hCA IX and hCA XII with a <jats:italic>K<\/jats:italic><jats:sub>i<\/jats:sub> of 1.055 and 0.70\u2009\u00b5M, respectively. The above results demonstrate the potential of these derivatives as selective, potent inhibitors of carbonic anhydrase IX and XII and provide a foundation for further optimization and development as effective anticancer agents. Further, the binding mode of the synthesized derivatives in the active site were examined using molecular docking and dynamic simulation studies.<\/jats:p>","DOI":"10.1002\/ardp.202300316","type":"journal-article","created":{"date-parts":[[2023,7,27]],"date-time":"2023-07-27T03:05:34Z","timestamp":1690427134000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["6\u2010Aminocoumarin oxime\u2010ether\/sulfonamides as selective hCA IX and XII inhibitors: Synthesis, evaluation, and molecular dynamics studies"],"prefix":"10.1002","volume":"356","author":[{"given":"Shaik Mahammad","family":"Ghouse","sequence":"first","affiliation":[{"name":"Department of Chemical Sciences National Institute of Pharmaceutical Education and Research (NIPER) Hyderabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kareena","family":"Sinha","sequence":"additional","affiliation":[{"name":"Department of Chemical Sciences 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