{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,14]],"date-time":"2026-05-14T15:31:32Z","timestamp":1778772692325,"version":"3.51.4"},"reference-count":36,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2007,3,1]]},"DOI":"10.1021\/ci600469w","type":"journal-article","created":{"date-parts":[[2007,2,13]],"date-time":"2007-02-13T12:54:20Z","timestamp":1171371260000},"page":"515-525","source":"Crossref","is-referenced-by-count":36,"title":["Analysis of Human Carbonic Anhydrase II:\u2009 Docking Reliability and Receptor-Based 3D-QSAR Study"],"prefix":"10.1021","volume":"47","author":[{"given":"Tiziano","family":"Tuccinardi","sequence":"first","affiliation":[{"name":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Elisa","family":"Nuti","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gabriella","family":"Ortore","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Claudiu T.","family":"Supuran","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Armando","family":"Rossello","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Adriano","family":"Martinelli","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2007,2,13]]},"reference":[{"key":"ci600469wb00001\/ci600469wb00001_1","unstructured":"Smith H. J.; Simons C.Enzymes and their Inhibition:\u2009 Drug Development; CRC Press:\u2009 Boca Raton, FL, 2005; pp 1\u2212308."},{"key":"ci600469wb00002\/ci600469wb00002_1","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1007\/978-3-0348-8446-4","volume-title":"The Carbonic Anhydrases:\u2009 New Horizons","author":"Chegwidden W. R.","year":"2000"},{"key":"ci600469wb00003\/ci600469wb00003_1","doi-asserted-by":"crossref","first-page":"194","DOI":"10.1517\/14740338.1.2.181","volume":"1","author":"Schuman J. S","year":"2002","journal-title":"Expert Opin. Drug Saf."},{"key":"ci600469wb00004\/ci600469wb00004_1","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1517\/13543776.12.2.217","volume":"12","author":"Supuran C. T.","year":"2002","journal-title":"Expert Opin. Ther. Pat."},{"key":"ci600469wb00005\/ci600469wb00005_1","first-page":"189","volume":"23","author":"Supuran C. T.","year":"2003","journal-title":"Med. Res. Rev."},{"key":"ci600469wb00006\/ci600469wb00006_1","doi-asserted-by":"crossref","first-page":"8335","DOI":"10.1021\/ja061574s","volume":"128","author":"Alterio V.","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"ci600469wb00007\/ci600469wb00007_1","doi-asserted-by":"crossref","first-page":"1105","DOI":"10.1021\/bi0480279","volume":"44","author":"Fisher Z.","year":"2005","journal-title":"Biochemistry"},{"key":"ci600469wb00008\/ci600469wb00008_1","doi-asserted-by":"crossref","first-page":"936","DOI":"10.2174\/138955706777934946","volume":"6","author":"Winum J. Y.","year":"2006","journal-title":"Mini Rev. Med. Chem."},{"key":"ci600469wb00009\/ci600469wb00009_1","first-page":"182","volume-title":"Carbonic Anhydrase, Its Inhibitors and Activators","author":"Clare B. W.","year":"2004"},{"key":"ci600469wb00010\/ci600469wb00010_1","doi-asserted-by":"crossref","first-page":"1114","DOI":"10.1016\/j.bmc.2005.09.038","volume":"14","author":"Melagraki G.","year":"2006","journal-title":"Bioorg. Med. Chem."},{"key":"ci600469wb00011\/ci600469wb00011_1","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1002\/1521-3773(20010119)40:2<389::AID-ANIE389>3.0.CO;2-#","volume":"40","author":"Gruneberg S.","year":"2001","journal-title":"Angew. Chem., Int. Ed."},{"key":"ci600469wb00012\/ci600469wb00012_1","doi-asserted-by":"crossref","first-page":"3602","DOI":"10.1021\/jm011112j","volume":"45","author":"Gruneberg S.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ci600469wb00013\/ci600469wb00013_1","doi-asserted-by":"crossref","first-page":"853","DOI":"10.1002\/cmdc.200600083","volume":"1","author":"Hillebrecht A.","year":"2006","journal-title":"Chem. Med. Chem."},{"key":"ci600469wb00014\/ci600469wb00014_1","doi-asserted-by":"crossref","first-page":"2760","DOI":"10.1021\/ci600298r","volume":"46","author":"Weber A.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci600469wb00015\/ci600469wb00015_1","doi-asserted-by":"crossref","first-page":"748","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"Jones G.","year":"1997","journal-title":"J. Mol. Biol."},{"key":"ci600469wb00016\/ci600469wb00016_1","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman H. M.","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"ci600469wb00017\/ci600469wb00017_1","volume-title":"version 7.5","author":"Maestro","year":"2005"},{"key":"ci600469wb00018\/ci600469wb00018_1","volume-title":"version 8.5","author":"Macromodel","year":"1999"},{"key":"ci600469wb00019\/ci600469wb00019_1","first-page":"2012","volume":"48","author":"Ragno R.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600469wb00020\/ci600469wb00020_1","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1023\/B:JCAM.0000017496.76572.6f","volume":"17","author":"Bursulaya B. D.","year":"2003","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600469wb00021\/ci600469wb00021_1","doi-asserted-by":"crossref","first-page":"1662","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","volume":"19","author":"Morris G. M.","year":"1998","journal-title":"J. Comput. Chem."},{"key":"ci600469wb00022\/ci600469wb00022_1","first-page":"126","volume":"22","author":"Hu X.","year":"2003","journal-title":"J. Mol. Graphics Modell."},{"key":"ci600469wb00023\/ci600469wb00023_1","first-page":"307","volume":"22","author":"Hu X.","year":"2004","journal-title":"J. Mol. Graphics Modell."},{"key":"ci600469wb00024\/ci600469wb00024_1","unstructured":"GOLPE 4.5; Multivariate Infometric Analysis Srl.\u2009 Perugia, Italy, 1999."},{"key":"ci600469wb00025\/ci600469wb00025_1","volume-title":"version 22a","author":"GRID","year":"2004"},{"key":"ci600469wb00026\/ci600469wb00026_1","doi-asserted-by":"crossref","first-page":"2155","DOI":"10.1016\/S0968-0896(00)00143-7","volume":"8","author":"Ilies M.","year":"2000","journal-title":"Bioorg. Med. Chem."},{"key":"ci600469wb00027\/ci600469wb00027_1","first-page":"2650","volume":"42","author":"Scozzafava A.","year":"1999","journal-title":"J. Med. Chem."},{"key":"ci600469wb00028\/ci600469wb00028_1","first-page":"1464","volume":"40","author":"Pastor M.","year":"1997","journal-title":"J. Med. Chem."},{"key":"ci600469wb00029\/ci600469wb00029_1","doi-asserted-by":"crossref","first-page":"1279","DOI":"10.1021\/jm031057+","volume":"47","author":"Vullo D.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ci600469wb00030\/ci600469wb00030_1","doi-asserted-by":"crossref","first-page":"2196","DOI":"10.1021\/jm021123s","volume":"46","author":"Ilies M. A.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ci600469wb00031\/ci600469wb00031_1","doi-asserted-by":"crossref","first-page":"2406","DOI":"10.1016\/S0968-0896(99)00190-X","volume":"7","author":"Borras J.","year":"1999","journal-title":"Bioorg. Med. Chem."},{"key":"ci600469wb00032\/ci600469wb00032_1","doi-asserted-by":"crossref","first-page":"2125","DOI":"10.1021\/jm0494826","volume":"48","author":"Winum J. Y.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600469wb00033\/ci600469wb00033_1","doi-asserted-by":"crossref","first-page":"3108","DOI":"10.1016\/j.bmcl.2005.04.056","volume":"15","author":"Garaj V.","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ci600469wb00034\/ci600469wb00034_1","doi-asserted-by":"crossref","first-page":"5786","DOI":"10.1016\/j.bmcl.2004.09.061","volume":"14","author":"Chazalette C.","year":"2004","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ci600469wb00035\/ci600469wb00035_1","first-page":"840","volume":"13","author":"Casini A.","year":"2003","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ci600469wb00036\/ci600469wb00036_1","doi-asserted-by":"crossref","first-page":"1791","DOI":"10.1016\/S0960-894X(01)00303-1","volume":"11","author":"Mincione F.","year":"2001","journal-title":"Bioorg. Med. Chem. Lett."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci600469w","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T04:03:05Z","timestamp":1678852985000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci600469w"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,2,13]]},"references-count":36,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2007,3,1]]}},"alternative-id":["10.1021\/ci600469w"],"URL":"https:\/\/doi.org\/10.1021\/ci600469w","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,2,13]]}}}