{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T05:58:00Z","timestamp":1760853480497},"reference-count":76,"publisher":"American Chemical Society (ACS)","issue":"8","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2010,8,23]]},"DOI":"10.1021\/ci100113p","type":"journal-article","created":{"date-parts":[[2010,7,16]],"date-time":"2010-07-16T15:22:50Z","timestamp":1279293770000},"page":"1451-1465","source":"Crossref","is-referenced-by-count":11,"title":["Molecular Interaction Fields and 3D-QSAR Studies of p53\u2212MDM2 Inhibitors Suggest Additional Features of Ligand\u2212Target Interaction"],"prefix":"10.1021","volume":"50","author":[{"given":"Cristina","family":"Dezi","sequence":"first","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Andrea","family":"Carotti","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Matteo","family":"Magnani","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Massimo","family":"Baroni","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Alessandro","family":"Padova","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Gabriele","family":"Cruciani","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Antonio","family":"Macchiarulo","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]},{"given":"Roberto","family":"Pellicciari","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologia del Farmaco, Universit\u00e0 di Perugia, via del Liceo 1, 06123 Perugia, Italy, Siena Biotech S.p.A., Strada del Petriccio e Belriguardo, 35, 53100, Siena, Italy, Molecular Discovery Ltd, 215 Marsh Road, Pinner, Middlesex HA55NE, England, and Laboratory for Chemometrics and Cheminformatics, Department of Chemistry, Universit\u00e0 di Perugia, via Elce di Sotto 10, 06123 Perugia, Italy"}]}],"member":"316","published-online":{"date-parts":[[2010,7,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/S0378-1119(99)00487-4","volume":"242","author":"Momand J.","year":"2000","journal-title":"Gene"},{"key":"ref2\/cit2","first-page":"1379","volume":"12","author":"Arrowsmith C. H.","year":"1996","journal-title":"Oncogene"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1038\/358080a0","volume":"358","author":"Oliner J. D.","year":"1992","journal-title":"Nature"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1097\/00019606-199506000-00004","volume":"4","author":"Marchetti A.","year":"1995","journal-title":"Diagn. Mol. Pathol."},{"key":"ref5\/cit5","first-page":"2736","volume":"53","author":"Reifenberger G.","year":"1993","journal-title":"Cancer Res."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"2617","DOI":"10.1182\/blood.V82.9.2617.2617","volume":"82","author":"Bueso-Ramos C. E.","year":"1993","journal-title":"Blood"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"909","DOI":"10.1038\/nrc2012","volume":"6","author":"Toledo F.","year":"2006","journal-title":"Nat. Rev. Cancer"},{"key":"ref8\/cit8","first-page":"4191","volume":"26","author":"Halatsch M. E.","year":"2006","journal-title":"Anticancer Res."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"689","DOI":"10.2174\/156800907782418266","volume":"7","author":"Laurie N. A.","year":"2007","journal-title":"Curr. Cancer Drug Targets"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1038\/nature05194","volume":"444","author":"Laurie N. A.","year":"2006","journal-title":"Nature"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"42","DOI":"10.2174\/138920209787581280","volume":"10","author":"Mancini F.","year":"2009","journal-title":"Curr. Genomics"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"585","DOI":"10.1007\/s00109-008-0322-6","volume":"86","author":"Prodosmo A.","year":"2008","journal-title":"J. Mol. Med."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1865","DOI":"10.1517\/13543780802493366","volume":"17","author":"Patel S.","year":"2008","journal-title":"Expert Opin. Invest. Drugs"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1146\/annurev.pharmtox.48.113006.094723","volume":"49","author":"Shangary S.","year":"2009","journal-title":"Annu. Rev. Pharmacol. Toxicol."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"948","DOI":"10.1126\/science.274.5289.948","volume":"274","author":"Kussie P. H.","year":"1996","journal-title":"Science"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1023\/B:JNMR.0000048856.84603.9b","volume":"30","author":"Fry D. C.","year":"2004","journal-title":"J. Biomol. NMR"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"909","DOI":"10.1021\/jm049137g","volume":"48","author":"Grasberger B. L.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"587","DOI":"10.1016\/j.jmb.2005.05.010","volume":"350","author":"Uhrinova S.","year":"2005","journal-title":"J. Mol. Biol."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"515","DOI":"10.1002\/cbic.200500452","volume":"7","author":"Fasan R.","year":"2006","journal-title":"ChemBioChem"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"11000","DOI":"10.1021\/ja063102j","volume":"128","author":"Sakurai K.","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"7044","DOI":"10.1021\/jm900681h","volume":"52","author":"Allen J. G.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1112","DOI":"10.4161\/cc.8.8.8475","volume":"8","author":"Domling A.","year":"2009","journal-title":"Cell Cycle"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"8712","DOI":"10.1002\/anie.200904550","volume":"48","author":"Li C.","year":"2009","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"4665","DOI":"10.1073\/pnas.0900947106","volume":"106","author":"Pazgier M.","year":"2009","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"2174","DOI":"10.1074\/jbc.M109.073056","volume":"285","author":"Phan J.","year":"2010","journal-title":"J. Biol. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"844","DOI":"10.1126\/science.1092472","volume":"303","author":"Vassilev L. T.","year":"2004","journal-title":"Science"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"524","DOI":"10.1002\/prot.22464","volume":"77","author":"Carotti A.","year":"2009","journal-title":"Proteins"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"547","DOI":"10.1016\/j.bbrc.2008.03.053","volume":"370","author":"Espinoza-Fonseca L. M.","year":"2008","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"1999","DOI":"10.1021\/ci800146m","volume":"48","author":"Macchiarulo A.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2604","DOI":"10.4161\/cc.6.21.4923","volume":"6","author":"Lee H. J.","year":"2007","journal-title":"Cell Cycle"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1002\/bip.20566","volume":"83","author":"Espinoza-Fonseca L. M.","year":"2006","journal-title":"Biopolymers"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"222","DOI":"10.1002\/prot.20275","volume":"58","author":"Zhong H.","year":"2005","journal-title":"Proteins"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"S6","DOI":"10.1186\/1471-2105-10-S15-S6","volume":"10","author":"Dastidar S. G.","year":"2009","journal-title":"BMC Bioinformatics"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"3925","DOI":"10.1021\/bi052242n","volume":"45","author":"Pan Y.","year":"2006","journal-title":"Biochemistry"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2930","DOI":"10.1021\/ja0678774","volume":"129","author":"Chen H. F.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"13514","DOI":"10.1021\/ja804289g","volume":"130","author":"Dastidar S. G.","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"1360","DOI":"10.1002\/cbic.200900008","volume":"10","author":"Grasslin A.","year":"2009","journal-title":"ChemBioChem"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"865","DOI":"10.1021\/ci800352c","volume":"49","author":"Kalid O.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1016\/j.tibtech.2009.02.003","volume":"27","author":"van Montfort R. L.","year":"2009","journal-title":"Trends Biotechnol."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1158\/1541-7786.MCR-08-0423","volume":"7","author":"Wade M.","year":"2009","journal-title":"Mol. Cancer Res."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1720","DOI":"10.2174\/092986708784872375","volume":"15","author":"Hu C. Q.","year":"2008","journal-title":"Curr. Med. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1517\/13543770902755137","volume":"19","author":"Macchiarulo A.","year":"2009","journal-title":"Expert Opin. Ther. Pat."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"3205","DOI":"10.1021\/jm990966p","volume":"43","author":"Garcia-Echeverria C.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"8810","DOI":"10.1158\/0008-5472.CAN-07-1140","volume":"67","author":"Hu B.","year":"2007","journal-title":"Cancer Res."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1016\/j.jmgm.2009.12.003","volume":"28","author":"Barakat K.","year":"2010","journal-title":"J. Mol. Graphics Model."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/j.molmed.2006.11.002","volume":"13","author":"Vassilev L. T.","year":"2007","journal-title":"Trends Mol. Med."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"7970","DOI":"10.1021\/jm901400z","volume":"52","author":"Yu S.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1533","DOI":"10.1158\/1535-7163.MCT-08-0140","volume":"7","author":"Shangary S.","year":"2008","journal-title":"Mol. Cancer Ther."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"3432","DOI":"10.1021\/jm051122a","volume":"49","author":"Ding K.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"3933","DOI":"10.1073\/pnas.0708917105","volume":"105","author":"Shangary S.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1002\/prot.1136","volume":"45","author":"Galatin P. S.","year":"2001","journal-title":"Proteins"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"1062","DOI":"10.2174\/092986709787581798","volume":"16","author":"Katsori A. M.","year":"2009","journal-title":"Curr. Med. Chem."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"1006","DOI":"10.2174\/156802607780906753","volume":"7","author":"Cavasotto C. N.","year":"2007","journal-title":"Curr. Top. Med. Chem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1018","DOI":"10.2174\/092986708784049630","volume":"15","author":"Sun H.","year":"2008","journal-title":"Curr. Med. Chem."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/j.drudis.2007.01.011","volume":"12","author":"Eckert H.","year":"2007","journal-title":"Drug Discovery Today"},{"key":"ref56\/cit56","first-page":"569","volume":"11","author":"Gedeck P.","year":"2008","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/j.drudis.2008.12.006","volume":"15","author":"Cross S.","year":"2010","journal-title":"Drug Discovery Today"},{"key":"ref58\/cit58","unstructured":"LigPrep,2.3ed.Schr\u00f6dinger, LLC:New York, NY."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","volume":"118","author":"Jorgensen W.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"499","DOI":"10.1021\/jm020406h","volume":"46","author":"Jain A. N.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref61\/cit61","volume-title":"Virtual Screening in Drug Discovery","author":"Cole J. C.","year":"2005"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1021\/jm00145a002","volume":"28","author":"Goodford P. J.","year":"1985","journal-title":"J. Med. Chem."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"854","DOI":"10.1021\/ci00020a020","volume":"34","author":"Rogers D.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref64\/cit64","unstructured":"Discovery Studio Modeling Environment; release2.5ed.Accelrys Software Inc.:San Diego, CA."},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"6209","DOI":"10.1021\/jm0601194","volume":"49","author":"Hardcastle I. R.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"336","DOI":"10.1021\/bi000930v","volume":"40","author":"Stoll R.","year":"2001","journal-title":"Biochemistry"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"1019","DOI":"10.1158\/1535-7163.MCT-04-0342","volume":"4","author":"Chen L.","year":"2005","journal-title":"Mol. Cancer Ther."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"825","DOI":"10.1023\/A:1023888813526","volume":"16","author":"Sippl W.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"359","DOI":"10.2174\/157340609788681458","volume":"5","author":"Santos-Filho O. A.","year":"2009","journal-title":"Med. Chem."},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"1001","DOI":"10.1038\/nature06526","volume":"450","author":"Wells J. A.","year":"2007","journal-title":"Nature"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1021\/ci600253e","volume":"47","author":"Baroni M.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref72\/cit72","first-page":"1","volume":"19","author":"Friedman J. H.","year":"1991","journal-title":"Ann. Stat."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1021\/ci700332k","volume":"48","author":"Johnson S. R.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1007\/s12154-009-0019-5","volume":"2","author":"Worrall E. G.","year":"2009","journal-title":"J. Chem. Biol."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"414","DOI":"10.1016\/j.jmb.2010.03.023","volume":"398","author":"Worrall E. G.","journal-title":"J. Mol. Biol."},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.1021\/ci060117s","volume":"46","author":"Maggiora G. M.","year":"2006","journal-title":"J. Chem. Inf. Model."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci100113p","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,8]],"date-time":"2023-04-08T04:03:53Z","timestamp":1680926633000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci100113p"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,7,16]]},"references-count":76,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2010,8,23]]}},"alternative-id":["10.1021\/ci100113p"],"URL":"https:\/\/doi.org\/10.1021\/ci100113p","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,7,16]]}}}