{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,31]],"date-time":"2026-07-31T01:53:19Z","timestamp":1785462799408,"version":"3.56.0"},"reference-count":50,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2022,2,4]],"date-time":"2022-02-04T00:00:00Z","timestamp":1643932800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Biopharm &amp; Drug Disp"],"published-print":{"date-parts":[[2022,4]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Carbonic anhydrases (CAs, Enzyme Commission 4.2.1.1) convert carbon dioxide to bicarbonate in metabolism and use Zn<jats:sup>2+<\/jats:sup> ions as a cofactor for their catalytic activity. The activators or inhibitors of CA\u2010I and CA\u2010II, which are the most abundant CA isozymes in erythrocytes, have pharmacological applications in medicine. So, investigation of drug\u2010protein interaction of these isozymes is significant. On this basis, the objective of this study was to clarify the primer effects of widely used drugs on the activity of human CA\u2010I and CA\u2010II enzymes and elucidate the inhibition mechanism through molecular docking studies. For this aim isozymes were purified from human erythrocytes by affinity chromatography technique. Then inhibition profiles of antiulcer, glucocorticoids, and urological drugs were investigated. As a result, while budesonide had the highest inhibitory potency on hydratase activity of hCA\u2010I with the IC<jats:sub>50<\/jats:sub> of 0.08\u00a0mM, levofloxacin showed the highest inhibition effect on hCA\u2010II with the IC<jats:sub>50<\/jats:sub> of 0.886\u00a0mM. The most effective inhibitor on the esterase activity of isozymes was found as fluticasone propionate with the K<jats:sub>i<\/jats:sub> values of 0.0365\u00a0\u00b1\u00a00.016\u00a0mM and 0.054\u00a0\u00b1\u00a00.018\u00a0mM respectively. However, by molecular docking study, it was estimated that budesonide showed maximum inhibition potency for both isozymes with the free binding energy of \u22127.58 and \u22126.97\u00a0kcal\/mol, respectively. Consequently, it was observed that some of the drugs studied did not show any inhibitory effect. Drug\u2010enzyme interactions were also estimated by molecular docking. This study could contribute to the discovery of new drug candidates and as well as target proteins.<\/jats:p>","DOI":"10.1002\/bdd.2309","type":"journal-article","created":{"date-parts":[[2022,1,26]],"date-time":"2022-01-26T16:33:16Z","timestamp":1643214796000},"page":"47-56","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["<i>In vitro<\/i> and <i>in silico<\/i> interactions of antiulcer, glucocorticoids and urological drugs on human carbonic anhydrase I and II isozymes"],"prefix":"10.1002","volume":"43","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0704-5984","authenticated-orcid":false,"given":"U\u011fur","family":"G\u00fcller","sequence":"first","affiliation":[{"name":"Department of Food Engineering, Faculty of Engineering I\u011fd\u0131r University  I\u011fd\u0131r Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3667-6902","authenticated-orcid":false,"given":"\u015e\u00fckr\u00fc","family":"Beydemir","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Pharmacy Anadolu University  Eski\u015fehir Turkey"},{"name":"The Rectorate of Bilecik \u015eeyh Edebali University  Bilecik Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1877-3154","authenticated-orcid":false,"given":"\u00d6mer \u0130rfan","family":"K\u00fcfrevio\u011flu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science Atat\u00fcrk University  Erzurum Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2022,2,4]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.etap.2012.08.010"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1007\/s43440-020-00149-4"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr200176r"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/b926832d"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.8b00334"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2020.1781844"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.3109\/14756366.2015.1051042"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.1892527"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1517\/13543776.2013.780598"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1113\/jphysiol.1971.sp009458"},{"issue":"5","key":"e_1_2_8_12_1","first-page":"580","article-title":"Some drugs inhibit in vitro hydratase and esterase activities of human carbonic anhydrase\u2010I and II","volume":"59","author":"Ekinci D.","year":"2007","journal-title":"Pharmacological Reports"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-6952-4_20"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2021.130498"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1084\/jem.20151739"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2004.11.056"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41396-019-0426-8"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/0167-4838(82)90471-X"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.15671\/HJBC.2017.156"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.121172598"},{"key":"e_1_2_8_21_1","volume-title":"Biyokimya: [in Turkish]","author":"Keha E. 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