{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T16:35:27Z","timestamp":1761237327458,"version":"3.32.0"},"reference-count":71,"publisher":"American Chemical Society (ACS)","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,7,1]]},"DOI":"10.1021\/ci060057q","type":"journal-article","created":{"date-parts":[[2006,6,10]],"date-time":"2006-06-10T14:55:32Z","timestamp":1149951332000},"page":"1763-1774","source":"Crossref","is-referenced-by-count":19,"title":["Exploration of a Binding Mode of Benzothiazol-2-yl Acetonitrile Pyrimidine Core Based Derivatives as Potent c-Jun N-Terminal Kinase-3 Inhibitors and 3D-QSAR Analyses"],"prefix":"10.1021","volume":"46","author":[{"given":"Pooja","family":"Sharma","sequence":"first","affiliation":[{"name":"Drug Design, Development and Molecular Modeling Division, Indian Institute of Chemical Biology (CSIR), 4 Raja S.C.Mullick Road, Jadavpur, Kolkata -700032, India"}]},{"given":"Nanda","family":"Ghoshal","sequence":"additional","affiliation":[{"name":"Drug Design, Development and Molecular Modeling Division, Indian Institute of Chemical Biology (CSIR), 4 Raja S.C.Mullick Road, Jadavpur, Kolkata -700032, India"}]}],"member":"316","published-online":{"date-parts":[[2006,5,27]]},"reference":[{"key":"ci060057qb00001\/ci060057qb00001_1","doi-asserted-by":"crossref","first-page":"19709","DOI":"10.1074\/jbc.271.33.19705","volume":"271","author":"Lander H. M.","year":"1996","journal-title":"J. Biol. Chem."},{"key":"ci060057qb00002\/ci060057qb00002_1","first-page":"15707","volume":"271","author":"Lo Y. Y. C.","year":"1996","journal-title":"J. Biol. Chem."},{"key":"ci060057qb00003\/ci060057qb00003_1","doi-asserted-by":"crossref","first-page":"3466","DOI":"10.1523\/JNEUROSCI.17-10-03455.1997","volume":"17","author":"Schwarzschild M. A.","year":"1997","journal-title":"J. Neurosci."},{"key":"ci060057qb00004\/ci060057qb00004_1","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1016\/S0955-0674(97)80061-0","volume":"9","author":"Robinson M. J.","year":"1997","journal-title":"Curr. Opin. Cell. Biol."},{"key":"ci060057qb00005\/ci060057qb00005_1","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1096\/fasebj.9.9.7601337","volume":"9","author":"Seger R.","year":"1995","journal-title":"FASEB J."},{"key":"ci060057qb00006\/ci060057qb00006_1","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1016\/S0959-437X(97)80111-6","volume":"7","author":"Fanger G. R.","year":"1997","journal-title":"Curr. Opin. Genet. Dev."},{"key":"ci060057qb00007\/ci060057qb00007_1","doi-asserted-by":"crossref","first-page":"2160","DOI":"10.1101\/gad.7.11.2135","volume":"7","author":"Hibi M.","year":"1993","journal-title":"Genes Dev."},{"key":"ci060057qb00008\/ci060057qb00008_1","first-page":"2","volume":"15","author":"Firestein G. S","year":"1998","journal-title":"Sci. Am. Med."},{"key":"ci060057qb00009\/ci060057qb00009_1","doi-asserted-by":"crossref","first-page":"1105","DOI":"10.1002\/art.1780340905","volume":"34","author":"Firestein G. S.","year":"1991","journal-title":"Arthritis Rheum."},{"key":"ci060057qb00010\/ci060057qb00010_1","doi-asserted-by":"crossref","first-page":"1091","DOI":"10.1016\/S0092-8674(05)80058-3","volume":"71","author":"Devary Y.","year":"1992","journal-title":"Cell"},{"key":"ci060057qb00011\/ci060057qb00011_1","doi-asserted-by":"crossref","first-page":"3007","DOI":"10.1101\/gad.8.24.2996","volume":"8","author":"Kallunki T.","year":"1994","journal-title":"Genes. Dev."},{"key":"ci060057qb00012\/ci060057qb00012_1","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1038\/369156a0","volume":"369","author":"Kyriakis J. M.","year":"1994","journal-title":"Nature"},{"key":"ci060057qb00013\/ci060057qb00013_1","doi-asserted-by":"crossref","first-page":"1254","DOI":"10.1007\/s000180050369","volume":"55","author":"Tibbles L. A.","year":"1999","journal-title":"Cell. Mol. Life Sci."},{"key":"ci060057qb00014\/ci060057qb00014_1","first-page":"219","volume":"10","author":"Ip Y. T.","year":"1998","journal-title":"Curr. Opin. Cell. Biol."},{"key":"ci060057qb00015\/ci060057qb00015_1","first-page":"2770","volume":"15","author":"Gupta S.","year":"1996","journal-title":"EMBO J."},{"issue":"1","key":"ci060057qb00016\/ci060057qb00016_1","first-page":"81","volume":"108","author":"Zuoning H.","year":"2001","journal-title":"J. Clin. Inves."},{"key":"ci060057qb00017\/ci060057qb00017_1","first-page":"111","volume":"18","author":"Anna C. M.","year":"1998","journal-title":"J. Neurosci."},{"key":"ci060057qb00018\/ci060057qb00018_1","doi-asserted-by":"crossref","first-page":"762","DOI":"10.1523\/JNEUROSCI.18-02-00751.1998","volume":"18","author":"Watson A.","year":"1998","journal-title":"J. Neurosci."},{"key":"ci060057qb00019\/ci060057qb00019_1","doi-asserted-by":"crossref","first-page":"2095","DOI":"10.1126\/science.282.5396.2092","volume":"282","author":"Dong C.","year":"1998","journal-title":"Science"},{"key":"ci060057qb00020\/ci060057qb00020_1","first-page":"585","volume":"9","author":"Yang D. D.","year":"1998","journal-title":"Immunity"},{"key":"ci060057qb00021\/ci060057qb00021_1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/S0960-9822(99)80065-7","volume":"9","author":"Sabapathy K.","year":"1999","journal-title":"Curr. Biol."},{"key":"ci060057qb00022\/ci060057qb00022_1","doi-asserted-by":"crossref","first-page":"874","DOI":"10.1126\/science.288.5467.870","volume":"288","author":"Tournier C.","year":"2000","journal-title":"Science"},{"key":"ci060057qb00023\/ci060057qb00023_1","first-page":"130","volume":"291","author":"Han Z.","year":"1999","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ci060057qb00024\/ci060057qb00024_1","first-page":"81","volume":"108","author":"Han Z.","year":"2001","journal-title":"J. Clin. Invest."},{"key":"ci060057qb00025\/ci060057qb00025_1","first-page":"823","volume":"46","author":"Han Z.","year":"2002","journal-title":"Arthritis Rheum."},{"key":"ci060057qb00026\/ci060057qb00026_1","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1002\/bies.10204","volume":"25","author":"Lin","year":"2003","journal-title":"Bioessays"},{"key":"ci060057qb00027\/ci060057qb00027_1","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1038\/nrd1132","volume":"2","author":"Manning A. M.","year":"2003","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ci060057qb00028\/ci060057qb00028_1","doi-asserted-by":"crossref","first-page":"939","DOI":"10.1016\/S1359-6446(04)03251-9","volume":"9","author":"Resnick L.","year":"2004","journal-title":"Drug Discovery Today"},{"key":"ci060057qb00029\/ci060057qb00029_1","first-page":"425","volume":"3","author":"Bennett B. L.","year":"2003","journal-title":"Curr. Opin. Pharmacol."},{"key":"ci060057qb00030\/ci060057qb00030_1","doi-asserted-by":"crossref","first-page":"201","DOI":"10.4161\/cc.2.3.382","volume":"2","author":"Kennedy N. J.","year":"2003","journal-title":"Cell Cycle"},{"key":"ci060057qb00031\/ci060057qb00031_1","first-page":"4607","volume":"48","author":"Pascale G.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci060057qb00032\/ci060057qb00032_1","doi-asserted-by":"crossref","first-page":"960","DOI":"10.1038\/sj.bjp.0705873","volume":"142","author":"Ferrandi C.","year":"2004","journal-title":"Br. J. Pharmacol."},{"key":"ci060057qb00033\/ci060057qb00033_1","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1124\/jpet.103.064246","volume":"310","author":"Carboni S.","year":"2004","journal-title":"J. Pharmacol. Exp. Ther."},{"volume-title":"Molecular simulations","author":"Cerius","key":"ci060057qb00034\/ci060057qb00034_1"},{"key":"ci060057qb00035\/ci060057qb00035_1","first-page":"526","volume":"2","author":"Hirashima A.","year":"2003","journal-title":"I.E.J.M.D."},{"key":"ci060057qb00035\/ci060057qb00035_2","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/j.bmcl.2003.10.006","volume":"14","author":"Ghoshal N.","year":"2004","journal-title":"Bioorg. Med. Chem. Lett."},{"issue":"11","key":"ci060057qb00036\/ci060057qb00036_1","first-page":"830","volume":"16","author":"Spippl W","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci060057qb00036\/ci060057qb00036_2","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1016\/S0166-1280(99)00361-9","volume":"503","author":"Sippl W.","year":"2000","journal-title":"J. Mol. Struct. (THEOCHEM)"},{"key":"ci060057qb00036\/ci060057qb00036_3","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1021\/jm00053a009","volume":"36","author":"Klebe G.","year":"1993","journal-title":"J. Med. Chem."},{"key":"ci060057qb00037\/ci060057qb00037_1","doi-asserted-by":"crossref","first-page":"613","DOI":"10.1002\/qsar.200330820","volume":"22","author":"Chen H.","year":"2003","journal-title":"QSAR Comb. Sci."},{"key":"ci060057qb00038\/ci060057qb00038_1","first-page":"958","volume":"25","author":"Ma X.","year":"2004","journal-title":"Acta Pharmacol. Sin."},{"key":"ci060057qb00039\/ci060057qb00039_1","first-page":"57","volume":"12","author":"Liu G.","year":"2004","journal-title":"Bioorg. Med. Chem."},{"issue":"4","key":"ci060057qb00040\/ci060057qb00040_1","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1016\/S1093-3263(02)00164-X","volume":"21","author":"Venkatachalam C. M.","year":"2003","journal-title":"J. Mol. Graphics Modell."},{"key":"ci060057qb00041\/ci060057qb00041_1","doi-asserted-by":"crossref","first-page":"10035","DOI":"10.1021\/ja00051a041","volume":"114","author":"Rappe A. K.","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"ci060057qb00042\/ci060057qb00042_1","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1016\/S1074-5521(03)00159-5","volume":"10","author":"Scapin G.","year":"2003","journal-title":"Chem. Biol."},{"issue":"1","key":"ci060057qb00043\/ci060057qb00043_1","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1093\/nar\/29.1.221","volume":"29","author":"Laskowski R. A.","year":"2001","journal-title":"Nucleic. Acids Res."},{"key":"ci060057qb00045\/ci060057qb00045_1","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1002\/jcc.540150207","volume":"15","author":"Maple J. R.","year":"1994","journal-title":"J. Comput. Chem."},{"key":"ci060057qb00046\/ci060057qb00046_1","first-page":"910","volume":"4","author":"Mehler E. L.","year":"1991","journal-title":"Protein Eng."},{"key":"ci060057qb00046\/ci060057qb00046_2","first-page":"252","volume-title":"Molecular Modelling:\u2009 Principles and Applications","author":"Leach A.","year":"2001"},{"issue":"14","key":"ci060057qb00047\/ci060057qb00047_1","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1021\/jm990073x","volume":"42","author":"Muegge I.","year":"1999","journal-title":"J. Med. Chem."},{"issue":"7","key":"ci060057qb00048\/ci060057qb00048_1","first-page":"688","volume":"22","author":"Irene N.","year":"2001","journal-title":"J. Comput. Chem."},{"key":"ci060057qb00050\/ci060057qb00050_1","unstructured":"Hopfinger, A. J.; Tokarski, J. S. InPractical Applications of Computer-AidedDesign; Charifson, P. S., Ed.; Marcel Dekker:\u2009 New York, 1997; pp 105\u2212164."},{"key":"ci060057qb00051\/ci060057qb00051_1","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1021\/jm00163a045","volume":"33","author":"Burke B. J.","year":"1990","journal-title":"J. Med. Chem."},{"key":"ci060057qb00052\/ci060057qb00052_1","unstructured":"Burke, B. J.; Hopfinger, A. J. InMolecular Similarity; Johnson, M. A., Maggiora, G. M., Eds.; John Wiley and Sons:\u2009 New York, 1990; pp 11\u2212EnDash73."},{"key":"ci060057qb00053\/ci060057qb00053_1","unstructured":"Hopfinger, A. J.; Burke, B. J. InConcepts and Applications of MolecularSimilarity; Johnson, M. A., Maggiora, G. M., Eds.; John Wiley and Sons:\u2009 New York, 1990; p 173."},{"key":"ci060057qb00054\/ci060057qb00054_1","doi-asserted-by":"crossref","first-page":"2329","DOI":"10.1021\/ac00220a013","volume":"62","author":"Stanton D. T.","year":"1990","journal-title":"Anal. Chem."},{"key":"ci060057qb00055\/ci060057qb00055_1","first-page":"422","volume-title":"Reviews of Computational Chemistry","author":"Hall L. H.","year":"1991"},{"key":"ci060057qb00056\/ci060057qb00056_1","first-page":"490","volume-title":"Topological Indices and Related Descriptors in QSAR and QSPR","author":"Kier L. B.","year":"1999"},{"key":"ci060057qb00057\/ci060057qb00057_1","first-page":"991","volume":"6","author":"Xie X.","year":"1998","journal-title":"Structure"},{"key":"ci060057qb00058\/ci060057qb00058_1","doi-asserted-by":"crossref","first-page":"805","DOI":"10.2174\/092986730609220401150028","volume":"6","author":"Toledo L. M.","year":"1999","journal-title":"Curr. Med. Chem."},{"key":"ci060057qb00059\/ci060057qb00059_1","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1517\/13543776.10.1.25","volume":"10","author":"Boehm J. C.","year":"2000","journal-title":"Expert Opin. Ther. Pat."},{"key":"ci060057qb00060\/ci060057qb00060_1","first-page":"2090","volume":"38","author":"Hahn M","year":"1995","journal-title":"J. Med. Chem."},{"key":"ci060057qb00061\/ci060057qb00061_1","first-page":"51","volume":"1","author":"Hirashima A.","year":"2002","journal-title":"Internet Electron. J. Mol. Des."},{"key":"ci060057qb00062\/ci060057qb00062_1","unstructured":"(a) Wold, S.; Eriksson, L. InChemometric Methods in Molecular Design;Waterbeemd, H. V. D., Ed.; VCH Publishers:\u2009 New York, 1995; pp 309\u2212318."},{"key":"ci060057qb00062\/ci060057qb00062_2","first-page":"3263","volume":"44","author":"Fan Y.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ci060057qb00063\/ci060057qb00063_1","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1016\/S1093-3263(01)00123-1","volume":"20","author":"Golbraikh A.","year":"2002","journal-title":"J. Mol. Graphics Modell."},{"key":"ci060057qb00064\/ci060057qb00064_1","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1023\/A:1025386326946","volume":"17","author":"Golbraikh A.","year":"2003","journal-title":"J. Comput.-Aided. Mol. Des."},{"volume-title":"Conf. Matrix Pencils;","year":"1983","author":"Wold S.","key":"ci060057qb00065\/ci060057qb00065_1"},{"key":"ci060057qb00065\/ci060057qb00065_2","unstructured":"(b) InLecture Notes in Mathematics 973; Ruhe, A., K\u00e5gstro, B. M., Eds.; Springer-Verlag:\u2009 Heidelberg, 1982; pp 286\u2212293."},{"key":"ci060057qb00066\/ci060057qb00066_1","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1080\/00401706.1978.10489693","volume":"20","author":"Wold S","year":"1978","journal-title":"Technometrics"},{"key":"ci060057qb00067\/ci060057qb00067_1","doi-asserted-by":"crossref","first-page":"446","DOI":"10.1080\/10629360310001624015","volume":"14","author":"Saxena A. K.","year":"2003","journal-title":"SAR QSAR Environ. Res."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci060057q","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,9]],"date-time":"2025-01-09T09:32:58Z","timestamp":1736415178000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci060057q"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,5,27]]},"references-count":71,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2006,7,1]]}},"alternative-id":["10.1021\/ci060057q"],"URL":"https:\/\/doi.org\/10.1021\/ci060057q","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2006,5,27]]}}}