{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,8]],"date-time":"2025-11-08T17:37:13Z","timestamp":1762623433056},"reference-count":65,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,10,22]]},"DOI":"10.1021\/ci3002342","type":"journal-article","created":{"date-parts":[[2012,8,27]],"date-time":"2012-08-27T14:53:54Z","timestamp":1346079234000},"page":"2670-2683","source":"Crossref","is-referenced-by-count":10,"title":["Modeling Androgen Receptor Flexibility: A Binding Mode Hypothesis of CYP17 Inhibitors\/Antiandrogens for Prostate Cancer Therapy"],"prefix":"10.1021","volume":"52","author":[{"given":"Eleonora","family":"Gianti","sequence":"first","affiliation":[{"name":"Department of Chemistry & Biochemistry, University of the Sciences, 600 S. 43rd Street, Philadelphia, Pennsylvania 19104, United States"}]},{"given":"Randy J.","family":"Zauhar","sequence":"additional","affiliation":[{"name":"Department of Chemistry & Biochemistry, University of the Sciences, 600 S. 43rd Street, Philadelphia, Pennsylvania 19104, United States"}]}],"member":"316","published-online":{"date-parts":[[2012,10,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1210\/er.2002-0032","volume":"25","author":"Heinlein C. A.","year":"2004","journal-title":"Endocr. Rev."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1016\/S0083-6729(08)60938-3","volume":"55","author":"Roy A. K.","year":"1999","journal-title":"Vitam. Horm."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"835","DOI":"10.1016\/0092-8674(95)90199-X","volume":"83","author":"Mangelsdorf D. J.","year":"1995","journal-title":"Cell"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"e008","DOI":"10.1621\/nrs.06008","volume":"6","author":"Claessens F.","year":"2008","journal-title":"Nucl. Recept. Signaling"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"4514","DOI":"10.1158\/0008-5472.CAN-06-1701","volume":"67","author":"Haelens A.","year":"2007","journal-title":"Cancer Res."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1210\/edrv.23.2.0460","volume":"23","author":"Heinlein C. A.","year":"2002","journal-title":"Endocr. Rev."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1186\/1476-4598-6-38","volume":"6","author":"Margiotti K.","year":"2007","journal-title":"Mol. Cancer."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1210\/er.2003-0023","volume":"25","author":"Smith C. L.","year":"2004","journal-title":"Endocr. Rev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1038\/aja.2010.89","volume":"12","author":"Koochekpour S.","year":"2010","journal-title":"Asian J. Androl."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/S0303-7207(02)00373-8","volume":"198","author":"Berrevoets C. A.","year":"2002","journal-title":"Mol. Cell. Endocrinol."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1635","DOI":"10.2174\/1381612033454595","volume":"9","author":"Teodoro M. L.","year":"2003","journal-title":"Curr. Pharm. Des."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1571","DOI":"10.2174\/1381612023394232","volume":"8","author":"Carlson H. A.","year":"2002","journal-title":"Curr. Pharm. Des."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"11927","DOI":"10.1073\/pnas.0609752104","volume":"104","author":"Bisson W. H.","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1729","DOI":"10.1021\/jm0005353","volume":"44","author":"Marhefka C. A.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"902","DOI":"10.1021\/jm970568r","volume":"41","author":"Njar V. C. O.","year":"1998","journal-title":"J. Med. Chem."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"622","DOI":"10.1038\/sj.bjc.6690739","volume":"81","author":"Grigoryev D. N.","year":"1999","journal-title":"Br. J. Cancer"},{"key":"ref17\/cit17","first-page":"6630","volume":"60","author":"Long B. J.","year":"2000","journal-title":"Cancer Res."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"163","DOI":"10.2174\/1381612805666230109214333","volume":"5","author":"Njar V. C. O.","year":"1999","journal-title":"Curr. Pharm. Des."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1039\/a815495y","volume":"15","author":"Jarman M.","year":"1998","journal-title":"Nat. Prod. Rep."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"2317","DOI":"10.1038\/sj.bjc.6601879","volume":"90","author":"O\u2019Donnel A.","year":"2004","journal-title":"Br. J. Cancer"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"4563","DOI":"10.1200\/JCO.2007.15.9749","volume":"26","author":"Attard G.","year":"2008","journal-title":"J. Clin. Oncol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"2972","DOI":"10.1021\/jm040202w","volume":"48","author":"Handratta V. D.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1158\/1535-7163.MCT-07-0581","volume":"7","author":"Schayowitz A.","year":"2008","journal-title":"Mol. Cancer Ther."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"2348","DOI":"10.1158\/1535-7163.MCT-08-0230","volume":"7","author":"Vasaitis T.","year":"2008","journal-title":"Mol. Cancer Ther."},{"key":"ref25\/cit25","unstructured":"Montgomery, R. B.; Taplin, M. E.ARMOR1: Study of TOK-001 to Treat Castration Resistant Prostate Cancer, 2009. ClinicalTrials.gov Web Site.http:\/\/clinicaltrials.gov\/ct2\/show\/study\/NCT00959959(accessed 08\/09\/2011)."},{"key":"ref26\/cit26","unstructured":"TOKAI PHARMACEUTICALS, Cambridge, MA 02142.http:\/\/www.tokaipharma.com\/(accessed May 1, 2011)."},{"key":"ref127\/cit127","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1038\/nature10743","volume":"482","author":"DeVore N. M.","year":"2012","journal-title":"Nature"},{"key":"ref27\/cit27","unstructured":"RCSB Protein Data Bank.http:\/\/www.rcsb.org\/pdb(accessed May 1, 2011)."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"16074","DOI":"10.1073\/pnas.0708036104","volume":"104","author":"Estebanez-Perpina E.","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"987","DOI":"10.1110\/ps.051905906","volume":"15","author":"Pereira de J\u00e9sus-Tran K.","year":"2006","journal-title":"Protein Sci."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"425","DOI":"10.1016\/j.molcel.2004.09.036","volume":"16","author":"He B.","year":"2004","journal-title":"Mol. Cell"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1439","DOI":"10.1021\/jm011072j","volume":"45","author":"Matias P. M.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"37747","DOI":"10.1074\/jbc.M507464200","volume":"280","author":"Bohl C. E.","year":"2005","journal-title":"J. Biol. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"5567","DOI":"10.1016\/j.bmcl.2008.09.002","volume":"18","author":"Bohl C. E.","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref34\/cit34","unstructured":"Schr\u00f6dinger Suite 2010 Induced Fit Docking protocol; Glide version 5.6,Schr\u00f6dinger, LLC,New York, NY, 2010; Prime version 2.2, Schr\u00f6dinger, LLC, New York, NY, 2010."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1021\/jm050540c","volume":"49","author":"Sherman W.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1111\/j.1747-0285.2005.00327.x","volume":"67","author":"Sherman W.","year":"2006","journal-title":"Chem. Biol. Drug Des."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"3160","DOI":"10.1016\/j.bmc.2005.12.032","volume":"14","author":"Farid R.","year":"2006","journal-title":"Bioorg. Med. Chem."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"3352","DOI":"10.1021\/cr020456u","volume":"105","author":"Gao W.","year":"2005","journal-title":"Chem. Rev."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"30910","DOI":"10.1074\/jbc.M705524200","volume":"282","author":"Cantin L.","year":"2007","journal-title":"J. Biol. Chem."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"13648","DOI":"10.1074\/jbc.M611711200","volume":"282","author":"Bohl C. E.","year":"2007","journal-title":"J. Biol. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"5097","DOI":"10.1074\/jbc.M109.039958","volume":"285","author":"Van de Wijngaart D. J.","year":"2010","journal-title":"J. Biol. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"6201","DOI":"10.1073\/pnas.0500381102","volume":"102","author":"Bohl C. E.","year":"2005","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref43\/cit43","unstructured":"Glide, version 5.6,Schr\u00f6dinger, LLC,New York, NY, 2010."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","volume":"47","author":"Friesner R. A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","volume":"47","author":"Halgren T. A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1021\/jm051256o","volume":"49","author":"Friesner R. A.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref47\/cit47","unstructured":"Prime, version 2.2,Schr\u00f6dinger, LLC,New York, NY, 2010."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1002\/prot.10613","volume":"55","author":"Jacobson M. P.","year":"2004","journal-title":"Proteins"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"597","DOI":"10.1016\/S0022-2836(02)00470-9","volume":"320","author":"Jacobson M. P.","year":"2002","journal-title":"J. Mol. Biol."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","volume":"118","author":"Jorgensen W. L.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"6474","DOI":"10.1021\/jp003919d","volume":"105","author":"Kaminski G. A.","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"10983","DOI":"10.1021\/jp982533o","volume":"102","author":"Ghosh A.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"517","DOI":"10.1002\/jcc.10045","volume":"23","author":"Gallicchio E.","year":"2002","journal-title":"J. Comput. Chem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"753","DOI":"10.1038\/39645","volume":"389","author":"Brzozowski A. M.","year":"1997","journal-title":"Nature"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"1106","DOI":"10.2174\/138161210790963850","volume":"16","author":"Gao W.","year":"2010","journal-title":"Curr. Pharm. Des."},{"key":"ref56\/cit56","unstructured":"Maestro, version 9.1,Schr\u00f6dinger, LLC,New York, NY, 2010."},{"key":"ref57\/cit57","unstructured":"Impact, version 5.6,Schr\u00f6dinger, LLC,New York, NY, 2005."},{"key":"ref58\/cit58","unstructured":"LigPrep, version 2.4,Schr\u00f6dinger, LLC,New York, NY, 2010."},{"key":"ref59\/cit59","unstructured":"Epik, version 2.1,Schr\u00f6dinger, LLC,New York, NY, 2010."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1007\/s10822-007-9133-z","volume":"21","author":"Shelley J. C.","year":"2007","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1007\/s10822-010-9349-1","volume":"24","author":"Greenwood J. R.","year":"2010","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"8060","DOI":"10.1074\/jbc.M407046200","volume":"280","author":"Estebanez-Perpina E.","year":"2005","journal-title":"J. Biol. Chem."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"25801","DOI":"10.1074\/jbc.M703268200","volume":"282","author":"Askew E. B.","year":"2007","journal-title":"J. Biol. Chem."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"9161","DOI":"10.1074\/jbc.M109.085779","volume":"285","author":"Zhou X. E.","year":"2010","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\/ci3002342","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,5]],"date-time":"2023-04-05T05:47:05Z","timestamp":1680673625000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci3002342"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,10,1]]},"references-count":65,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2012,10,22]]}},"alternative-id":["10.1021\/ci3002342"],"URL":"https:\/\/doi.org\/10.1021\/ci3002342","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,10,1]]}}}