{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,4]],"date-time":"2025-11-04T23:11:52Z","timestamp":1762297912712,"version":"3.40.4"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"11","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,11,26]]},"DOI":"10.1021\/ci3004418","type":"journal-article","created":{"date-parts":[[2012,10,24]],"date-time":"2012-10-24T11:47:25Z","timestamp":1351079245000},"page":"3053-3063","source":"Crossref","is-referenced-by-count":16,"title":["Virtual Screening Yields Inhibitors of Novel Antifungal Drug Target, Benzoate 4-Monooxygenase"],"prefix":"10.1021","volume":"52","author":[{"given":"Sabina","family":"Berne","sequence":"first","affiliation":[{"name":"Faculty of Medicine, Institute of Biochemistry, University of Ljubljana, Vrazov trg 2, SI-1000 Ljubljana, Slovenia"}]},{"given":"Barbara","family":"Podobnik","sequence":"additional","affiliation":[{"name":"Lek Pharmaceuticals d.d., Verov\u0161kova 57, SI-1000 Ljubljana, Slovenia"}]},{"given":"Neja","family":"Zupanec","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]},{"given":"Metka","family":"Novak","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]},{"given":"Nada","family":"Kra\u0161evec","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]},{"given":"Samo","family":"Turk","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, Chair of Pharmaceutical Chemistry, University of Ljubljana, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia"}]},{"given":"Branka","family":"Koro\u0161ec","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]},{"given":"Ljerka","family":"Lah","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]},{"given":"Erika","family":"\u0160uligoj","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]},{"given":"Jure","family":"Stojan","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, Institute of Biochemistry, University of Ljubljana, Vrazov trg 2, SI-1000 Ljubljana, Slovenia"}]},{"given":"Stanislav","family":"Gobec","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, Chair of Pharmaceutical Chemistry, University of Ljubljana, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia"}]},{"given":"Radovan","family":"Komel","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, Institute of Biochemistry, University of Ljubljana, Vrazov trg 2, SI-1000 Ljubljana, Slovenia"},{"name":"Laboratory for Molecular Biology and Nanobiotechnology, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia"}]}],"member":"316","published-online":{"date-parts":[[2012,11,8]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3109\/10408410903241444","volume":"36","author":"Pfaller M. A.","year":"2010","journal-title":"Crit. Rev. Microbiol."},{"issue":"8","key":"ref2\/cit2","first-page":"44","volume":"35","author":"Owens J. N.","year":"2010","journal-title":"US Pharm."},{"key":"ref3\/cit3","first-page":"14","volume":"3","author":"Low C.-Y.","year":"2011","journal-title":"F1000 Med. Rep."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"e666","DOI":"10.1111\/j.1439-0507.2011.02032.x","volume":"54","author":"Miceli M. H.","year":"2011","journal-title":"Mycoses [Online]"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"S41","DOI":"10.1097\/01.qco.0000399605.75891.fc","volume":"24","author":"Perfect J. R.","year":"2011","journal-title":"Curr. Opin. Infect. Dis."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"71","DOI":"10.2147\/tcrm.2007.3.1.71","volume":"3","author":"Eschenauer G.","year":"2007","journal-title":"Ther. Clin. Risk Manag."},{"key":"ref7\/cit7","unstructured":"Antifungals market to 2017 - Generic erosion of major polyenes, azoles, allylamines and echinocandins to slow value growth; GBI Research report, Jan 2012; 118pp, report code: ASDR-25413;http:\/\/www.docstoc.com\/docs\/110983114\/Antifungals-Market-to-2017-Generic-Erosion-of-Major-Polyenes-Azoles-Allylamines-and-Echinocandins-to-Slow-Value-Growth(accessed May 9, 2012)."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"522","DOI":"10.1016\/j.coph.2010.06.002","volume":"10","author":"Chen S. C.-A","year":"2010","journal-title":"Curr. Opin. Pharmacol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"719","DOI":"10.1038\/nrd3074","volume":"9","author":"Ostrosky-Zeichner L.","year":"2010","journal-title":"Nat. Rev. Drug Disc."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1007\/s12281-010-0018-6","volume":"4","author":"Johnson M. D.","year":"2010","journal-title":"Curr. Fungal Inf. Rep."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1411","DOI":"10.1517\/17425255.2011.627854","volume":"7","author":"Gubbins P. O.","year":"2011","journal-title":"Exp. Opin. Drug Metabol. Toxicol."},{"journal-title":"Drug Plus Internat.","year":"2004","author":"Denning D.","key":"ref12\/cit12"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1111\/j.1470-9465.2004.00841.x","volume":"10","author":"Maertens J. A.","year":"2004","journal-title":"Clin. Microbiol. Infect."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1016\/j.bbrc.2005.08.079","volume":"338","author":"Guengerich F. P.","year":"2005","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1385\/1-59259-924-9:013","volume-title":"Drug Interactions in Infectious Diseases","author":"Kashuba A. D. M.","year":"2005","edition":"2"},{"issue":"2","key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1080\/03602530701498455","volume":"39","author":"Schuster I.","year":"2007","journal-title":"Drug Metabol. Rev."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1128\/CMR.12.1.40","volume":"12","author":"Sheehan D. J.","year":"1999","journal-title":"Clin. Microbiol. Rev."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"W529","DOI":"10.1093\/nar\/gkq399","volume":"38","author":"Ashkenazy H.","journal-title":"Nucleic Acids Res."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"3480","DOI":"10.1021\/jm800030e","volume":"51","author":"Podobnik B.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"Irwin J. J.","year":"2005","journal-title":"J. Chem. Info. Model"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"7274","DOI":"10.1021\/jm061103g","volume":"49","author":"Shoichet B. K.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"470","DOI":"10.1006\/jmbi.1996.0477","volume":"261","author":"Rarey M.","year":"1996","journal-title":"J. Mol. Biol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1023\/A:1008068904628","volume":"12","author":"Rarey M.","year":"1998","journal-title":"J. Comput. Aided Mol. Des."},{"issue":"4","key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"446","DOI":"10.1016\/j.fgb.2007.10.004","volume":"45","author":"Lah L.","year":"2008","journal-title":"Fungal Genet. Biol."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"248","DOI":"10.1016\/0003-2697(76)90527-3","volume":"72","author":"Bradford M. M.","year":"1976","journal-title":"Anal. Biochem."},{"key":"ref26\/cit26","first-page":"258","volume-title":"Methods in Enzymology","volume":"52","author":"Jefcoate C. R.","year":"1978"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0022265"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkj105"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1002\/jcc.540040211","volume":"4","author":"Brooks B. R.","year":"1983","journal-title":"J. Comput. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey W.","year":"1996","journal-title":"J. Mol. Graph."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1038\/nature03197","volume":"432","author":"Shoichet B. K.","year":"2004","journal-title":"Nature"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"329","DOI":"10.2174\/138920307781369427","volume":"8","author":"Reddy A. S.","year":"2007","journal-title":"Curr. Prot. Pept. Sci."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1038\/nrd3139","volume":"9","author":"Schneider G.","year":"2010","journal-title":"Nat. Rev. Drug Disc."},{"issue":"14","key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"987","DOI":"10.1016\/S1359-6446(05)03511-7","volume":"10","author":"Carr R. A. E.","year":"2005","journal-title":"Drug Discov. Today"},{"issue":"24","key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"8461","DOI":"10.1021\/jm101020z","volume":"53","author":"Ripphausen P.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1016\/S0026-895X(25)14748-2","volume":"3","author":"Schenkman J. B.","year":"1967","journal-title":"Mol. Pharmacol."},{"issue":"1","key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/0163-7258(81)90075-9","volume":"12","author":"Schenkman J. B.","year":"1981","journal-title":"Pharmacol. Therapeut."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"314","DOI":"10.1093\/oxfordjournals.jbchem.a021241","volume":"119","author":"Fukuda H.","year":"1996","journal-title":"J. Biochem."},{"issue":"23","key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"4243","DOI":"10.1021\/bi00773a008","volume":"11","author":"Schenkman J. B.","year":"1972","journal-title":"Biochemistry"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1016\/0304-4165(72)90318-2","volume":"261","author":"Wilson B. J.","year":"1972","journal-title":"Biochim. Biophys. Acta"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1325","DOI":"10.1021\/tx900127s","volume":"22","author":"Shimada T.","year":"2009","journal-title":"Chem. Res. Toxicol."},{"key":"ref42\/cit42","first-page":"55","volume":"78","author":"Yoshida Y.","year":"1975","journal-title":"J. Biochem."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1048","DOI":"10.1016\/S0021-9258(17)38109-7","volume":"253","author":"Kumaki K.","year":"1978","journal-title":"J. Biol. Chem."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"8165","DOI":"10.1021\/bi00399a022","volume":"26","author":"Poulos T. L.","year":"1987","journal-title":"Biochemistry"},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"39437","DOI":"10.1074\/jbc.M607665200","volume":"281","author":"Seward H. E.","year":"2006","journal-title":"J. Biol. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"332","DOI":"10.1016\/j.bmcl.2010.11.007","volume":"21","author":"Ouellet H.","year":"2011","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pntd.0000372"},{"issue":"6","key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"2480","DOI":"10.1128\/AAC.00281-10","volume":"54","author":"Doyle P. S.","year":"2010","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1016\/S0021-9258(18)88300-4","volume":"19","author":"Van Slyke D. D.","year":"1914","journal-title":"J. Biol. Chem."},{"issue":"2","key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"245","DOI":"10.1006\/abbi.2001.2534","volume":"394","author":"Faber B. W.","year":"2001","journal-title":"Arch. Biochem. Biophys."},{"issue":"5","key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1517\/17425255.4.5.513","volume":"4","author":"Stjernschantz E.","year":"2008","journal-title":"Exp. Opin. Drug Metab. Toxicol."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"1573","DOI":"10.1021\/ci300118x","volume":"52","author":"Bren U.","year":"2012","journal-title":"J. Chem. Inf. Model"},{"issue":"13","key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"10613","DOI":"10.1074\/jbc.M111.323501","volume":"287","author":"Zhao B.","year":"2012","journal-title":"J. Biol. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci3004418","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,4,19]],"date-time":"2025-04-19T15:36:21Z","timestamp":1745076981000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci3004418"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,11,8]]},"references-count":53,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2012,11,26]]}},"alternative-id":["10.1021\/ci3004418"],"URL":"https:\/\/doi.org\/10.1021\/ci3004418","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2012,11,8]]}}}