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Potent inhibitory action, in the low\u2010nanomolar range, was detected against isoforms hCA II for sulfonamide derivatives, which proved to be selective against this isoform over the tumor\u2010associate hCA IX and XII isoforms. On the other hand, coumarin derivatives showed weak potency but high selectivity against the tumor\u2010associated isoform CA IX. These compounds are interesting candidates for preclinical evaluation in glaucoma or various tumors in which the two enzymes are involved. In addition, an <jats:italic>in silico<\/jats:italic> study of inhibitor\u2010bound hCA II revealed extensive interactions with the hydrophobic pocket of the active site and provided molecular insights into the binding properties of these new inhibitors.<\/jats:p>","DOI":"10.1002\/cmdc.202000500","type":"journal-article","created":{"date-parts":[[2020,8,3]],"date-time":"2020-08-03T10:41:40Z","timestamp":1596451300000},"page":"2052-2057","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Synthesis, Computational Studies and Assessment of <i>in Vitro<\/i> Activity of Squalene Derivatives as Carbonic Anhydrase Inhibitors"],"prefix":"10.1002","volume":"15","author":[{"given":"Lilia","family":"Clima","sequence":"first","affiliation":[{"name":"Centre of Advanced Research in Bionanoconjugates and Biopolymers Department, \u201cPetru Poni\u201d Institute of Macromolecular Chemistry  700487 Iasi Romania"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bogdan Florin","family":"Craciun","sequence":"additional","affiliation":[{"name":"Centre of Advanced Research in Bionanoconjugates and Biopolymers Department, \u201cPetru Poni\u201d Institute of Macromolecular Chemistry  700487 Iasi Romania"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andrea","family":"Angeli","sequence":"additional","affiliation":[{"name":"Centre of Advanced Research in Bionanoconjugates and Biopolymers Department, \u201cPetru Poni\u201d Institute of Macromolecular Chemistry  700487 Iasi Romania"},{"name":"Sezione di Scienze Farmaceutiche University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andrea","family":"Petreni","sequence":"additional","affiliation":[{"name":"Centre of Advanced Research in Bionanoconjugates and Biopolymers Department, \u201cPetru Poni\u201d Institute of Macromolecular Chemistry  700487 Iasi Romania"},{"name":"Sezione di Scienze Farmaceutiche University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alessandro","family":"Bonardi","sequence":"additional","affiliation":[{"name":"Department of Neurosciences University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alessio","family":"Nocentini","sequence":"additional","affiliation":[{"name":"Department of Neurosciences University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fabrizio","family":"Carta","sequence":"additional","affiliation":[{"name":"Sezione di Scienze Farmaceutiche University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paola","family":"Gratteri","sequence":"additional","affiliation":[{"name":"Department of Neurosciences University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mariana","family":"Pinteala","sequence":"additional","affiliation":[{"name":"Centre of Advanced Research in Bionanoconjugates and Biopolymers Department, \u201cPetru Poni\u201d Institute of Macromolecular Chemistry  700487 Iasi Romania"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Claudiu T.","family":"Supuran","sequence":"additional","affiliation":[{"name":"Sezione di Scienze Farmaceutiche University of Florence  Via Ugo Schiff 6 50019 Sesto Fiorentino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2020,9,15]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1467-2494.2007.00360.x"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF02536349"},{"key":"e_1_2_7_3_1","first-page":"100","volume":"11","author":"Stewart M. 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