{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,2]],"date-time":"2026-04-02T10:07:45Z","timestamp":1775124465396,"version":"3.50.1"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"9","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2013,9,23]]},"DOI":"10.1021\/ci400284v","type":"journal-article","created":{"date-parts":[[2013,8,1]],"date-time":"2013-08-01T17:37:08Z","timestamp":1375378628000},"page":"2402-2408","source":"Crossref","is-referenced-by-count":34,"title":["Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects"],"prefix":"10.1021","volume":"53","author":[{"given":"Carolina L.","family":"Bellera","sequence":"first","affiliation":[{"name":"Medicinal Chemistry, Department\rof Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI),\rBuenos Aires, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dar\u00edo E.","family":"Balcazar","sequence":"additional","affiliation":[{"name":"Instituto de Ciencia y Tecnolog\u00eda\rDr. C\u00e9sar Milstein (ICT Milstein), Argentinean National Council\rof Scientific and Technical Research (CONICET), Saladillo 2468, Ciudad\rAut\u00f3noma de Buenos Aires, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lucas","family":"Alberca","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry, Department\rof Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI),\rBuenos Aires, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carlos A.","family":"Labriola","sequence":"additional","affiliation":[{"name":"Instituto de Investigaciones Bioqu\u00edmicas\rde Buenos Aires, Argentinean National Council of Scientific and Technical\rResearch (CONICET), Instituto es Av. Patricias Argentinas 435, Ciudad\rAut\u00f3noma de Buenos Aires, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alan","family":"Talevi","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry, Department\rof Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI),\rBuenos Aires, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carolina","family":"Carrillo","sequence":"additional","affiliation":[{"name":"Instituto de Ciencia y Tecnolog\u00eda\rDr. C\u00e9sar Milstein (ICT Milstein), Argentinean National Council\rof Scientific and Technical Research (CONICET), Saladillo 2468, Ciudad\rAut\u00f3noma de Buenos Aires, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2013,8,16]]},"reference":[{"key":"ref1\/cit1","first-page":"3","volume":"97","author":"Rodrigues Coura J.","year":"2002","journal-title":"Mem. Inst. Oswaldo Cruz"},{"issue":"1","key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1590\/S0074-02762009000900005","volume":"104","author":"Moncayo A.","year":"2009","journal-title":"Mem. Inst. Oswaldo Cruz"},{"key":"ref3\/cit3","volume-title":"Control of Chagas Disease","year":"2002"},{"key":"ref4\/cit4","volume-title":"Research Priorities for Chagas Disease, Human African trypanosomiasis and leishmaniasis","year":"2012"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1016\/j.pt.2003.09.001","volume":"19","author":"Urbina J. A.","year":"2003","journal-title":"Trends Parasitol."},{"key":"ref6\/cit6","first-page":"3","volume":"97","author":"Rodrigues Coura J.","year":"2002","journal-title":"Mem. Inst. Oswaldo Cruz"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1016\/j.ijantimicag.2011.03.004","volume":"38","author":"Astelbauer F.","year":"2011","journal-title":"Int. J. Antimicrob. Agents"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1251","DOI":"10.1007\/s00436-009-1383-3","volume":"104","author":"Villalta F.","year":"2009","journal-title":"Parasitol. Res."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"845","DOI":"10.1016\/j.jprot.2009.12.012","volume":"73","author":"Cuervo P.","year":"2010","journal-title":"J. Proteomics"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"423","DOI":"10.2174\/092986710790226101","volume":"17","author":"S\u00e1nchez-Sancho F.","year":"2010","journal-title":"Curr. Med. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"19","DOI":"10.2174\/157489107779561625","volume":"2","author":"Duschak V. G.","year":"2007","journal-title":"Recent Pat. Anti-Infect. Drug Discovery"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"3174","DOI":"10.2174\/092986709788802971","volume":"16","author":"Duschak V. G.","year":"2009","journal-title":"Curr. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"183","DOI":"10.2174\/157340810794578506","volume":"6","author":"Rodrigues G. C.","year":"2010","journal-title":"Curr. Enz. Inhib."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"D1035","DOI":"10.1093\/nar\/gkq1126","volume":"39","author":"Knox C.","year":"2011","journal-title":"Nucelic Acids Res."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"D668","DOI":"10.1093\/nar\/gkj067","volume":"34","author":"Wishart D. S.","year":"2006","journal-title":"Nucleic Acid Res."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1509","DOI":"10.2174\/092986711795328427","volume":"18","author":"Glan F.","year":"2011","journal-title":"Curr. Med. Chem."},{"key":"ref17\/cit17","first-page":"229","volume-title":"Advances Methods and Applications in Chmoinformatics: Research Progress and New Applications","author":"Talevi A.","year":"2011","edition":"1"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1002\/wsbm.147","volume":"3","author":"Deftereos S. N.","year":"2011","journal-title":"Wiley Interdiscip. Rev. Sys. Biol."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"96ps35","DOI":"10.1126\/scitranslmed.3001512","volume":"3","author":"Lussier Y. A.","year":"2011","journal-title":"Sci. Transl. Med."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"298","DOI":"10.1016\/j.drudis.2011.02.016","volume":"16","author":"Ekins S.","year":"2011","journal-title":"Drug Discovery Today"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"346","DOI":"10.1093\/bib\/bbr021","volume":"12","author":"Sardana A.","year":"2011","journal-title":"Brief. Bioinform."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1307","DOI":"10.4155\/fmc.11.92","volume":"3","author":"Pollastri M. P.","year":"2011","journal-title":"Future Med. Chem."},{"key":"ref23\/cit23","first-page":"867","volume":"52","author":"Bender A.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"6682","DOI":"10.1016\/j.bmc.2009.07.068","volume":"17","author":"dos Santos Filho J. M.","year":"2009","journal-title":"Bioorg. Med. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"7826","DOI":"10.1016\/j.bmc.2010.09.056","volume":"18","author":"Zaldini Hernandes M.","year":"2010","journal-title":"Bioorg. Med. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1537","DOI":"10.1016\/S0960-894X(02)00189-0","volume":"12","author":"Rodrigues C. R.","year":"2002","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1016\/S0968-0896(02)00427-3","volume":"11","author":"Huang L.","year":"2003","journal-title":"Bioorg. Med. Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2141","DOI":"10.1016\/j.bmc.2004.12.053","volume":"13","author":"Choe Y.","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"7444","DOI":"10.1016\/j.bmcl.2010.10.015","volume":"20","author":"Beaulieu C.","year":"2010","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"733","DOI":"10.1016\/S1074-5521(00)00018-1","volume":"7","author":"Du X.","year":"2000","journal-title":"Chem. Biol."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"6404","DOI":"10.1021\/ja710254m","volume":"130","author":"Brak K.","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1021\/jm901069a","volume":"53","author":"Mott B. T.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"4891","DOI":"10.1021\/jm100488w","volume":"53","author":"Ferreira R. S.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"e1023","DOI":"10.1371\/journal.pntd.0001023","volume":"5","author":"Ang K. K. H.","year":"2011","journal-title":"PLoS Neglected Trop. Dis."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2477","DOI":"10.1016\/S0968-0896(98)80022-9","volume":"6","author":"Scheidt K. A.","year":"1998","journal-title":"Bioorg. Med. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"788","DOI":"10.1021\/ci100297y","volume":"51","author":"Hariharan R.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1002\/9780470977811.ch5","volume-title":"Cluster Analysis","author":"Everitt B. S.","year":"2011","edition":"5"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"172","DOI":"10.2174\/157340912801619076","volume":"8","author":"Talevi A.","year":"2012","journal-title":"Curr. Comput.-Aided Drug Des."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1218","DOI":"10.1021\/ci010291a","volume":"41","author":"Yasri A.","year":"2001","journal-title":"J. Chem. Inf. Comp. Sci."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"2534","DOI":"10.1021\/jm049092j","volume":"48","author":"Triballeau N.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1002\/qsar.200390007","volume":"22","author":"Tropsha A.","year":"2003","journal-title":"QSAR Comb. Sci."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"186","DOI":"10.1016\/0167-4838(90)90166-D","volume":"1037","author":"Cazzulo J. J.","year":"1990","journal-title":"Biochim. Biophys. Acta"},{"issue":"1","key":"ref43\/cit43","first-page":"101","volume":"26","author":"Labriola C.","year":"1993","journal-title":"J. Biol Res."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1016\/0166-6851(85)90074-X","volume":"16","author":"Cazzulo J. J.","year":"1985","journal-title":"Mol. Biochem. Parasitol."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1016\/S0263-7855(96)00081-1","volume":"14","author":"G\u00e1lvez J.","year":"1996","journal-title":"J. Mol. Graph."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"892","DOI":"10.1021\/jm050691f","volume":"49","author":"Benaim G.","year":"2006","journal-title":"J. Med. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci400284v","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T19:47:46Z","timestamp":1681588066000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci400284v"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,8,16]]},"references-count":46,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2013,9,23]]}},"alternative-id":["10.1021\/ci400284v"],"URL":"https:\/\/doi.org\/10.1021\/ci400284v","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,8,16]]}}}