{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,14]],"date-time":"2026-02-14T02:28:52Z","timestamp":1771036132966,"version":"3.50.1"},"reference-count":38,"publisher":"Springer Science and Business Media LLC","issue":"5-6","license":[{"start":{"date-parts":[[2003,5,1]],"date-time":"2003-05-01T00:00:00Z","timestamp":1051747200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2003,5,1]],"date-time":"2003-05-01T00:00:00Z","timestamp":1051747200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2003,5]]},"DOI":"10.1023\/a:1026171723068","type":"journal-article","created":{"date-parts":[[2003,11,3]],"date-time":"2003-11-03T22:50:32Z","timestamp":1067899832000},"page":"277-290","source":"Crossref","is-referenced-by-count":28,"title":["3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi"],"prefix":"10.1007","volume":"17","author":[{"given":"Irwin R.A.","family":"Menezes","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Julio C.D.","family":"Lopes","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carlos A.","family":"Montanari","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Glaucius","family":"Oliva","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fernando","family":"Pav\u00e3o","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marcelo S.","family":"Castilho","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Paulo C.","family":"Vieira","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M^onica T.","family":"Pupo","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"5138525_CR1","unstructured":"World Health Organization Statistical Information System Website, at http:\/\/www.who.ch\/whosis\/whosis.html, on November 9th, 2002."},{"key":"5138525_CR2","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1590\/S0074-02762002000100001","volume":"97","author":"J.R. Coura","year":"2002","unstructured":"Coura, J.R., Castro, S.L., Mem. Inst. Oswaldo Cruz, 97 (2002) 3.","journal-title":"Mem. Inst. Oswaldo Cruz"},{"key":"5138525_CR3","first-page":"179","volume":"59","author":"A.H. Fairlamb","year":"1999","unstructured":"Fairlamb, A.H., Medicina-Buenos Aires, 59 (1999) 179.","journal-title":"Medicina-Buenos Aires"},{"key":"5138525_CR4","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/S0014-5793(98)00154-9","volume":"424","author":"D.H.F. Souza","year":"1998","unstructured":"Souza, D.H.F., Garratt, R.C., Ara\u00dajo, A.P.U., Guimar\u00e3es, B.G., Jesus, W.D.P., Michels, P.A.M., Hannaert, V., Oliva, G., FEBS Lett., 424 (1998) 131.","journal-title":"FEBS Lett."},{"key":"5138525_CR5","doi-asserted-by":"crossref","first-page":"4790","DOI":"10.1021\/jm9802620","volume":"41","author":"A.M. Aronov","year":"1998","unstructured":"(a) Aronov, A.M., Verlinde, C.L.M.J., Hol, W.G.J., Gelb, M.H., J. Med. Chem., 41 (1998) 4790 (b) Verlinde, C.L.M.J., Bressic, J.C., Choea, J., Suresha, S., Bucknerd, F.S., Van Voorhisd, W.C., Michelsf, P.A.M., Gelbb, M.H., Hol, W.G.J., J. Braz. Chem. Soc., 13 (2002) 843.","journal-title":"J. Med. Chem."},{"key":"5138525_CR6","doi-asserted-by":"crossref","first-page":"2080","DOI":"10.1021\/jm000472o","volume":"44","author":"J.C. Bressi","year":"2001","unstructured":"Bressi, J.C., Verlinde, C.L.M.J., Aronov, A.M., Le Shaw, M., Shin, S.S., Nguyen, L.N., Suresh, S., Buckner, F.S., Van Voorhis, W.C., Kuntz, I.D., Hol, W.G.J., Gelb, M.H., J. Med. Chem., 44 (2001) 2080.","journal-title":"J. Med. Chem."},{"key":"5138525_CR7","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1351\/pac200173030617","volume":"73","author":"P.C. Vieira","year":"2001","unstructured":"Vieira, P.C., Mafezoli, J., Pupo, M.T., Fernandes, J.B., da Silva, M. F.D.F., de Albuquerque, S., Oliva, G., Pav\u00e3o, F., Pure Appl. Chem., 73 (2001) 617.","journal-title":"Pure Appl. Chem."},{"key":"5138525_CR8","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1590\/S0100-40422001000100018","volume":"24","author":"C.A. Montanari","year":"2001","unstructured":"Montanari, C.A., Bolzani, V.S., Quim. Nova, 24 (2001) 105.","journal-title":"Quim. Nova"},{"key":"5138525_CR9","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1590\/S0100-40422000000200007","volume":"23","author":"A. Leit\u00e3o","year":"2000","unstructured":"(a) Leit\u00e3o, A., Montanari, C.A. and Donnici, C.L., Quim. Nova, 23, (2000) 178 (b) Gorse, D., Rees, A., Kaczorek, M., Lahana, R., DDT, 4 (1999) 257 (c) Duffieux, F., Van Roy, J., Michels, P.K.M., Opperdoes, F.R., J. Biol. Chem., 275 (2000) 27559.","journal-title":"Quim. Nova"},{"key":"5138525_CR10","doi-asserted-by":"crossref","first-page":"1047","DOI":"10.1016\/S1359-6446(02)02483-2","volume":"7","author":"P.D. Lyne","year":"2002","unstructured":"Lyne, P.D., DDT 7, (2002) 1047.","journal-title":"DDT"},{"key":"5138525_CR11","doi-asserted-by":"crossref","first-page":"1175","DOI":"10.1002\/(SICI)1096-987X(19970715)18:9<1175::AID-JCC6>3.0.CO;2-O","volume":"18","author":"T.J.A. Ewing","year":"1997","unstructured":"Ewing, T.J.A., Kuntz, I.D.J., Comput. Chem. 18 (1997) 1175.","journal-title":"Comput. Chem."},{"key":"5138525_CR12","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1016\/S0014-5793(02)02700-X","volume":"520","author":"F Pavao","year":"2002","unstructured":"Pavao, F, Castilho, M.S., Pupo, M.T., Dias, R.L.A., Correa, A.G., Fernandes, J.B., da Silva, M.F.G.F., Mafezoli, J., Vieira, P.C., Oliva, O., FEBS Lett., 520 (2002) 13.","journal-title":"FEBS Lett."},{"issue":"Suppl.I","key":"5138525_CR13","first-page":"327","volume":"92","author":"M.R. Monteiro","year":"1997","unstructured":"Monteiro, M.R., Vieira, P.C., Fernandes, J.B., da Silva, M.F.G.F., Pupo, M.T., Pav\u00e3o, F., Oliva, G., Albuquerque, S., Mem. Inst. Oswaldo Cruz, Suppl. I, 92 (1997) 327.","journal-title":"Mem. Inst. Oswaldo Cruz"},{"key":"5138525_CR14","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","volume":"110","author":"R.D. Cramer","year":"1988","unstructured":"Cramer, R.D., Patterson, D.E., Bunce, J.D., J. Am. Chem. Soc., 110 (1988) 5959.","journal-title":"J. Am. Chem. Soc."},{"key":"5138525_CR15","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1021\/jm00145a002","volume":"28","author":"P.J. Goodford","year":"1985","unstructured":"Goodford, P.J., J. Med. Chem., 28 (1985) 849.","journal-title":"J. Med. Chem."},{"key":"5138525_CR16","doi-asserted-by":"crossref","first-page":"1083","DOI":"10.1021\/jm00125a025","volume":"32","author":"D.N.A. Boobbyer","year":"1989","unstructured":"Boobbyer, D.N.A., Goodford, P.J., McWhinnie, P.M., Wade, R.C., J. Med. Chem., 32 (1989) 1083.","journal-title":"J. Med. Chem."},{"key":"5138525_CR17","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1021\/jm00053a018","volume":"36","author":"R.C. Wade","year":"1993","unstructured":"Wade, R.C., Clark, K.J., Goodford, P.J., J. Med. Chem., 36 (1993) 140.","journal-title":"J. Med. Chem."},{"key":"5138525_CR18","unstructured":"Sybyl 6.5, Tripos, Inc."},{"key":"5138525_CR19","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/S0166-1280(99)00360-7","volume":"503","author":"G. Cruciani","year":"2000","unstructured":"Cruciani, G., Crivori, P., Carrupt, P.-A., Testa, B., J. Mol. Struct. (Theochem.), 503 (2000) 17.","journal-title":"J. Mol. Struct. (Theochem.)"},{"key":"5138525_CR20","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1021\/jm9605952","volume":"40","author":"J. Nilson","year":"1997","unstructured":"Nilson, J., Wikstr\u00f6m, H., Smilde, A., Glase, S., Pugsley, T., Cruciani, G., Pastor, M., Clementi, S., J. Med. Chem., 40 (1997) 833.","journal-title":"J. Med. Chem."},{"key":"5138525_CR21","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1002\/cem.1180020306","volume":"2","author":"A.J. H\u00f6skuldsson","year":"1988","unstructured":"H\u00f6skuldsson, A.J., Chemom., 2 (1988) 211.","journal-title":"Chemom."},{"key":"5138525_CR22","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1002\/qsar.19930120103","volume":"12","author":"M. Baroni","year":"1993","unstructured":"Baroni, M., Costantino, G., Cruciani, G., Riganelli, D., Valigi, R., Clementi, S., Quant. Strut.-Act. Relat., 12 (1993) 9.","journal-title":"Quant. Strut.-Act. Relat."},{"key":"5138525_CR23","unstructured":"Pav\u00e3o, F., Sci. Thesis, Chemistry Department, University of S\u00e3o Paulo, 1996."},{"key":"5138525_CR24","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1007\/BF00124466","volume":"10","author":"C.A. Montanari","year":"1996","unstructured":"Montanari, C.A., Tute, M.S., Beezer, A.E., Mitchell, J., J. Comput. Aided Mol. Des., 10 (1996) 67.","journal-title":"J. Comput. Aided Mol. Des."},{"key":"5138525_CR25","doi-asserted-by":"crossref","first-page":"2685","DOI":"10.1021\/jm0011326","volume":"45","author":"G. Cruciani","year":"2002","unstructured":"Cruciani, G., Pastor, M., Mannhold, R., J. Med. Chem., 45 (2002) 2685.","journal-title":"J. Med. Chem."},{"key":"5138525_CR26","doi-asserted-by":"crossref","first-page":"S29","DOI":"10.1016\/S0928-0987(00)00162-7","volume":"11","author":"G. Cruciani","year":"2000","unstructured":"Cruciani, G., Pastor, M., Guba, W., Eur. J. Pharm. Sci., 11 (2000) S29.","journal-title":"Eur. J. Pharm. Sci."},{"key":"5138525_CR27","doi-asserted-by":"crossref","first-page":"1760","DOI":"10.1023\/A:1013386900232","volume":"18","author":"M. Tarvainen","year":"2001","unstructured":"Tarvainen, M., Satinen, R., Somppi, M., Paronen, P., Poso, A., Pharmaceut. Res., 18 (2001) 1760.","journal-title":"Pharmaceut. Res."},{"key":"5138525_CR28","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1023\/A:1008132801840","volume":"15","author":"E. Filipponi","year":"2001","unstructured":"Filipponi, E., Cruciani, G., Tabarrini, O., Cecchetti, V., Fravolini, A., J. Comput. Aid. Mol. Des., 15 (2001) 203.","journal-title":"J. Comput. Aid. Mol. Des."},{"key":"5138525_CR29","doi-asserted-by":"crossref","first-page":"258","DOI":"10.1021\/cc010093w","volume":"4","author":"T.I. Oprea","year":"2002","unstructured":"Oprea, T.I., Zamora, I., Ungell, A.L., J. Comb. Chem., 4 (2002) 258.","journal-title":"J. Comb. Chem."},{"key":"5138525_CR30","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1021\/jm011051p","volume":"46","author":"I. Ismael Zamora","year":"2003","unstructured":"Ismael Zamora, I., Oprea, T., Cruciani, G., Pastor, M., Ungell, A.-L., J. Med. Chem., 46 (2003), 25.","journal-title":"J. Med. Chem."},{"key":"5138525_CR31","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1016\/S0031-9422(00)00248-X","volume":"55","author":"D.M. Tomazela","year":"2000","unstructured":"Tomazela, D.M., Pupo, M.T., Passador, E.A.P., Da Silva, M.F.G.F., Vieira, P.C., Fernandes, J.B., Fo, E.R., Oliva, G., Pirani, J.R., Phytochemistry, 55 (2000) 643.","journal-title":"Phytochemistry"},{"key":"5138525_CR32","unstructured":"DeMarchi, A.A., Archanjo, F.C., Pupo, M.T., DelPonte, G., Castilho, M.S., Oliva, G., 25th Brazilian Chemical Society Meeting, Po\u00e7os de Caldas, MG, Brazil, MD-023, 2002."},{"key":"5138525_CR33","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1590\/S0100-40422002000200011","volume":"25","author":"M.L.C. Montanari","year":"2002","unstructured":"Montanari, M.L.C., Montanari, C.A., G\u00e1udio, A.C., Quim. Nova, 25 (2002) 231.","journal-title":"Quim. Nova"},{"key":"5138525_CR34","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1023\/A:1020280627193","volume":"16","author":"A.C. G\u00e1udio","year":"2002","unstructured":"G\u00e1udio, A.C., Montanari, C.A., J. Comput. Aided Mol. Des., 16 (2002) 287.","journal-title":"J. Comput. Aided Mol. Des."},{"key":"5138525_CR35","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1007\/s007750050212","volume":"3","author":"M.H.M. Olsson","year":"1998","unstructured":"Olsson, M.H.M., Ryde, U., Roos, B.O., Pierloot, K., J. Biol. Inorg. Chem., 3 (1998) 109.","journal-title":"J. Biol. Inorg. Chem."},{"key":"5138525_CR36","doi-asserted-by":"crossref","first-page":"10434","DOI":"10.1021\/ja974377p","volume":"120","author":"S.L. Dong","year":"1998","unstructured":"Dong, S.L., Spiro, T.G., J. Am. Chem. Soc., 120 (1998) 10434.","journal-title":"J. Am. Chem. Soc."},{"key":"5138525_CR37","doi-asserted-by":"crossref","first-page":"1689","DOI":"10.1080\/00268970110063917","volume":"99","author":"G.L. Duan","year":"2001","unstructured":"Duan, G.L., Smith, V.H., Weaver, D.F., Mol. Phys., 99 (2001) 1689.","journal-title":"Mol. Phys."},{"key":"5138525_CR38","doi-asserted-by":"crossref","first-page":"214","DOI":"10.1002\/bip.10105","volume":"67","author":"G.J. Thomas","year":"2002","unstructured":"Thomas, G.J., Biopolymers, 67 (2002) 214.","journal-title":"Biopolymers"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1026171723068.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1023\/A:1026171723068\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1026171723068.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,6]],"date-time":"2025-06-06T08:53:53Z","timestamp":1749200033000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1023\/A:1026171723068"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,5]]},"references-count":38,"journal-issue":{"issue":"5-6","published-print":{"date-parts":[[2003,5]]}},"alternative-id":["5138525"],"URL":"https:\/\/doi.org\/10.1023\/a:1026171723068","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2003,5]]}}}