{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,13]],"date-time":"2026-02-13T18:36:12Z","timestamp":1771007772201,"version":"3.50.1"},"reference-count":55,"publisher":"American Chemical Society (ACS)","issue":"1","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Med. Chem."],"published-print":{"date-parts":[[2009,1,8]]},"DOI":"10.1021\/jm800945c","type":"journal-article","created":{"date-parts":[[2008,12,11]],"date-time":"2008-12-11T19:57:40Z","timestamp":1229025460000},"page":"143-150","source":"Crossref","is-referenced-by-count":47,"title":["Fast Three Dimensional Pharmacophore Virtual Screening of New Potent Non-Steroid Aromatase Inhibitors"],"prefix":"10.1021","volume":"52","author":[{"given":"Marco A. C.","family":"Neves","sequence":"first","affiliation":[{"name":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, Centro de Neuroci\u00eancias, Laborat\u00f3rio de Bioqu\u00edmica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, and Istituto di Chimica del Riconoscimento Molecolare, CNR, 20131, Milano, Italy"}]},{"given":"Teresa C. P.","family":"Dinis","sequence":"additional","affiliation":[{"name":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, Centro de Neuroci\u00eancias, Laborat\u00f3rio de Bioqu\u00edmica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, and Istituto di Chimica del Riconoscimento Molecolare, CNR, 20131, Milano, Italy"}]},{"given":"Giorgio","family":"Colombo","sequence":"additional","affiliation":[{"name":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, Centro de Neuroci\u00eancias, Laborat\u00f3rio de Bioqu\u00edmica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, and Istituto di Chimica del Riconoscimento Molecolare, CNR, 20131, Milano, Italy"}]},{"given":"M. Luisa","family":"S\u00e1 e Melo","sequence":"additional","affiliation":[{"name":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, Centro de Neuroci\u00eancias, Laborat\u00f3rio de Bioqu\u00edmica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, 3000-295, Coimbra, Portugal, and Istituto di Chimica del Riconoscimento Molecolare, CNR, 20131, Milano, Italy"}]}],"member":"316","published-online":{"date-parts":[[2008,12,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"3947","DOI":"10.1021\/cr020443g","volume":"104","author":"Meunier B.","year":"2004","journal-title":"Chem. Rev."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"2431","DOI":"10.1056\/NEJMra023246","volume":"348","author":"Smith I. E.","year":"2003","journal-title":"N. Engl. J. Med."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.uct.2006.04.003","volume":"1","author":"Popat S.","year":"2006","journal-title":"Update Cancer Ther."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1081\/DMR-120001392","volume":"34","author":"Rendic S.","year":"2002","journal-title":"Drug Metab. Rev."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1097\/00008571-200401000-00001","volume":"14","author":"Nelson D. R.","year":"2004","journal-title":"Pharmacogenetics"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"282","DOI":"10.1002\/med.10010","volume":"22","author":"Recanatini M.","year":"2002","journal-title":"Med. Res. Rev."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1016\/S0162-0134(00)00102-1","volume":"81","author":"Williams P. A.","year":"2000","journal-title":"J. Inorg. Biochem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1126\/science.1099736","volume":"305","author":"Williams P. A.","year":"2004","journal-title":"Science"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"464","DOI":"10.1038\/nature01862","volume":"424","author":"Williams P. A.","year":"2003","journal-title":"Nature"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"7614","DOI":"10.1074\/jbc.M511232200","volume":"281","author":"Rowland P.","year":"2006","journal-title":"J. Biol. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"581","DOI":"10.1080\/14756360500220574","volume":"20","author":"Loge C.","year":"2005","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1074","DOI":"10.1002\/prot.20829","volume":"62","author":"Favia A. D.","year":"2006","journal-title":"Proteins"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/j.jsbmb.2006.11.023","volume":"105","author":"Karkola S.","year":"2007","journal-title":"J. Steroid Biochem. Mol. Biol."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1002\/cmdc.200700149","volume":"2","author":"Neves M. A. C.","year":"2007","journal-title":"ChemMedChem"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1002\/cmdc.200700266","volume":"3","author":"Jackson T.","year":"2008","journal-title":"ChemMedChem"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"2771","DOI":"10.1016\/S0968-0896(00)00203-0","volume":"8","author":"Cavalli A.","year":"2000","journal-title":"Bioorg. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"4777","DOI":"10.1021\/jm060186y","volume":"49","author":"Gobbi S.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1469","DOI":"10.1021\/ci700025m","volume":"47","author":"Bak A.","year":"2007","journal-title":"J. Chem Inf. Model."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1126","DOI":"10.1021\/jm701107h","volume":"51","author":"Su B.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"186","DOI":"10.1007\/BF00355042","volume":"10","author":"Oprea T. I.","year":"1996","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1301","DOI":"10.1021\/ci050237k","volume":"46","author":"Schuster D.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","first-page":"69","volume-title":"Pharmacophore Perception, Development, and Use in Drug Design","author":"Clement O. O.","year":"2000"},{"key":"ref23\/cit23","unstructured":"Catalyst, release version 4.11; Accelrys Software Inc. (www.accelrys.com)."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1021\/jm015567k","volume":"45","author":"Cavalli A.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1038\/sj.embor.7400420","volume":"6","author":"Schleinkofer K.","year":"2005","journal-title":"EMBO Rep."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1841","DOI":"10.1021\/jm991180u","volume":"43","author":"Jacobs C.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"672","DOI":"10.1021\/jm000955s","volume":"44","author":"Recanatini M.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"6792","DOI":"10.1021\/jm049535j","volume":"47","author":"Leonetti F.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"7282","DOI":"10.1021\/jm058042r","volume":"48","author":"Cavalli A.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"4032","DOI":"10.1021\/jm0306024","volume":"47","author":"Kim Y. W.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"4063","DOI":"10.1016\/j.bmc.2005.03.050","volume":"13","author":"Hackett J. C.","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"ref32\/cit32","unstructured":"Developmental Therapeutics Program NCI\/NIH.http:\/\/dtp.nci.nih.gov\/."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"Lipinski C. A.","year":"1997","journal-title":"Adv. Drug Delivery Rev."},{"key":"ref34\/cit34","unstructured":"Instant JChem, release version 2.0.0; ChemAxon (www.chemaxon.com)."},{"key":"ref35\/cit35","unstructured":"MDL CrossFire Commander, release version 7.0SP2; Elsevier MDL (www.mdli.com)."},{"key":"ref36\/cit36","unstructured":"PubChem Compound database available athttp:\/\/www.ncbi.nlm.nih.gov\/sites\/entrez\/."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1016\/0022-4731(75)90149-1","volume":"6","author":"Siiteri P. K.","year":"1975","journal-title":"J. Steroid Biochem."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1016\/S0021-9258(18)70286-X","volume":"234","author":"Ryan K. J.","year":"1959","journal-title":"J. Biol. Chem."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1016\/j.jsbmb.2007.10.011","volume":"110","author":"Neves M. A.","year":"2008","journal-title":"J. Steroid Biochem. Mol. Biol."},{"key":"ref40\/cit40","unstructured":"GOLD, release version 3.2; The Cambridge Crystallographic Data Centre (http:\/\/www.ccdc.cam.ac.uk)."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1393","DOI":"10.1021\/jm00062a012","volume":"36","author":"Furet P.","year":"1993","journal-title":"J. Med. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1006\/jmbi.2001.4803","volume":"311","author":"Cupp-Vickery J. R.","year":"2001","journal-title":"J. Mol. Biol."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"3915","DOI":"10.1128\/AAC.00311-07","volume":"51","author":"Podust L. M.","year":"2007","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"4571","DOI":"10.1021\/bi00068a013","volume":"32","author":"Raag R.","year":"1993","journal-title":"Biochemistry"},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1046\/j.1432-1033.2001.01886.x","volume":"268","author":"Kao Y. C.","year":"2001","journal-title":"Eur. J. Biochem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"416","DOI":"10.1021\/jm00163a065","volume":"33","author":"Jones C. D.","year":"1990","journal-title":"J. Med. Chem."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1016\/0960-0760(90)90485-4","volume":"37","author":"Bhatnagar A. S.","year":"1990","journal-title":"J. Steroid Biochem. Mol. Biol."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1002\/ardp.19973300506","volume":"330","author":"Le Borgne M.","year":"1997","journal-title":"Arch. Pharm."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"2996","DOI":"10.1248\/cpb.30.2996","volume":"30","author":"Hisano T.","year":"1982","journal-title":"Chem. Pharm. Bull."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/S0223-5234(02)00005-3","volume":"38","author":"Na Y. M.","year":"2003","journal-title":"Eur. J. Med. Chem."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1021\/jm00134a009","volume":"24","author":"Baguley B. C.","year":"1981","journal-title":"J. Med. Chem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"1707","DOI":"10.1016\/0006-2952(90)90346-M","volume":"40","author":"Vanden Bossche H.","year":"1990","journal-title":"Biochem. Pharmacol."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"Irwin J. J.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"836","DOI":"10.1002\/prot.20389","volume":"58","author":"Kirton S. B.","year":"2005","journal-title":"Proteins"},{"key":"ref55\/cit55","unstructured":"DeLano, W. L.The PyMOL Molecular Graphics System, release version 0.99; DeLano Scientific: Palo Alto, CA (http:\/\/www.pymol.org)."}],"container-title":["Journal of Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jm800945c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T14:59:38Z","timestamp":1678892378000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jm800945c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,12,11]]},"references-count":55,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2009,1,8]]}},"alternative-id":["10.1021\/jm800945c"],"URL":"https:\/\/doi.org\/10.1021\/jm800945c","relation":{},"ISSN":["0022-2623","1520-4804"],"issn-type":[{"value":"0022-2623","type":"print"},{"value":"1520-4804","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,12,11]]}}}