{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T18:13:20Z","timestamp":1759342400656,"version":"3.37.3"},"reference-count":91,"publisher":"American Chemical Society (ACS)","issue":"1","funder":[{"DOI":"10.13039\/501100001412","name":"Council of Scientific and Industrial Research","doi-asserted-by":"publisher","award":["ESC 0103"],"award-info":[{"award-number":["ESC 0103"]}],"id":[{"id":"10.13039\/501100001412","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001407","name":"Department of Biotechnology , Ministry of Science and Technology","doi-asserted-by":"publisher","award":["GAP 346"],"award-info":[{"award-number":["GAP 346"]}],"id":[{"id":"10.13039\/501100001407","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001409","name":"Department of Science and Technology, Ministry of Science and Technology","doi-asserted-by":"publisher","award":["GAP 336","GAP 339"],"award-info":[{"award-number":["GAP 336","GAP 339"]}],"id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2018,1,22]]},"DOI":"10.1021\/acs.jcim.7b00227","type":"journal-article","created":{"date-parts":[[2017,12,15]],"date-time":"2017-12-15T16:37:42Z","timestamp":1513355862000},"page":"68-89","source":"Crossref","is-referenced-by-count":5,"title":["Structure-Based Kinase Profiling To Understand the Polypharmacological Behavior of Therapeutic Molecules"],"prefix":"10.1021","volume":"58","author":[{"given":"Devawati","family":"Dutta","sequence":"first","affiliation":[{"name":"Cancer\rBiology and Inflammatory Disorder Division, Council of Scientific and Industrial Research\u2014Indian Institute of Chemical Biology, Kolkata 700032, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ranjita","family":"Das","sequence":"additional","affiliation":[{"name":"Cancer\rBiology and Inflammatory Disorder Division, Council of Scientific and Industrial Research\u2014Indian Institute of Chemical Biology, Kolkata 700032, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chhabinath","family":"Mandal","sequence":"additional","affiliation":[{"name":"National Institute of Pharmaceutical Education and Research, Kolkata 700032, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8275-3978","authenticated-orcid":true,"given":"Chitra","family":"Mandal","sequence":"additional","affiliation":[{"name":"Cancer\rBiology and Inflammatory Disorder Division, Council of Scientific and Industrial Research\u2014Indian Institute of Chemical Biology, Kolkata 700032, India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2017,12,15]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.2174\/092986708783503212"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1586\/ecp.12.74"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2007-07-102061"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/nbt.1990"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/jm5006463"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1338"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/nature07943"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/nrc2787"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ja208518u"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/1097-0142(19930701)72:1<37::AID-CNCR2820720109>3.0.CO;2-P"},{"key":"ref11\/cit11","first-page":"132","volume":"28","author":"Ceponis A.","year":"2010","journal-title":"Clin. Exp. Rheumatol."},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1007\/s12272-015-0618-3"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio790"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/cb100294v"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.jprot.2011.05.011"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2016.04.004"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ci1001263"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ci2003544"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ci060003g"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-016-9940-1"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ci1003174"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/b905821b"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/S1367-5931(00)00217-9"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/1097-0134(20010501)43:2<217::AID-PROT1032>3.0.CO;2-G"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/prot.10625"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1124\/pr.112.007336"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ci500742b"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkl114"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkq300"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ci800023x"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/ci500130e"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ci500131x"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-13-S17-S6"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1002139"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(01)00109-7"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ci300083r"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1038\/nrd2130"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1111\/j.1365-2141.2011.08685.x"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1111\/bcp.12496"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2015.10.021"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jm990352k"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(01)00125-5"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkj067"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkl999"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1074"},{"key":"ref47\/cit47","unstructured":"Maestro, v10.3;Schr\u00f6dinger, Inc.:Portland, OR, 2015."},{"key":"ref48\/cit48","unstructured":"Sybyl-X Molecular Modeling Software Packages, Version 7.0;1601 TRIPOS Associates, Inc.:St. Louis, MO, 2004."},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0897"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0477"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/ci050283k"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ci010025x"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1101\/gr.1239303"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/ijc.27687"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1007\/s10495-013-0907-6"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0023172"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbagen.2016.06.005"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2007.38"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/jm400290q"},{"key":"ref62\/cit62","unstructured":"Mandal, C.; Pal, B. C.; Bhattacharya, K.; Samanta, S. K.; Sarkar, S.; Das, R.Process for the Isolation of Organic Compounds Useful for the Treatment of Cancer. U.S. Patent 8637679B2, Jan 28, 2014."},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-016-1433-7"},{"key":"ref64\/cit64","first-page":"629","volume":"4","author":"Bhattacharya K.","year":"2014","journal-title":"Am. J. Cancer Res."},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1038\/oncsis.2016.34"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1038\/cddis.2017.296"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0047516"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1101\/cshperspect.a006502"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1313097110"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1007\/s11010-015-2406-2"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-08-3014"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1038\/nature12122"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/ml500394m"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btp650"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444906047287"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-05-4187"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/jm501603h"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/pro.355"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2010-03-277152"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2011-11-390120"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1177\/1758834014522491"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1111\/ejh.12043"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2009.06.002"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-08-2978"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1080\/15384047.2015.1113355"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1007\/s40259-013-0061-2"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1604520113"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1080\/02841860903229124"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1592\/phco.28.8.1066"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.2147\/OTT.S19901"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1242\/jcs.009530"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.7b00227","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T07:26:48Z","timestamp":1681716408000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.7b00227"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,12,15]]},"references-count":91,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2018,1,22]]}},"alternative-id":["10.1021\/acs.jcim.7b00227"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.7b00227","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2017,12,15]]}}}