{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,25]],"date-time":"2026-04-25T08:02:52Z","timestamp":1777104172551,"version":"3.51.4"},"reference-count":85,"publisher":"American Chemical Society (ACS)","issue":"37","license":[{"start":{"date-parts":[[2022,9,6]],"date-time":"2022-09-06T00:00:00Z","timestamp":1662422400000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004071","name":"Khon Kaen University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004071","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004704","name":"National Research Council of Thailand","doi-asserted-by":"publisher","award":["NRCT5-RSA63002-07"],"award-info":[{"award-number":["NRCT5-RSA63002-07"]}],"id":[{"id":"10.13039\/501100004704","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002873","name":"Chulalongkorn University","doi-asserted-by":"publisher","award":["CUFRB65_hea(69)_132_23_62"],"award-info":[{"award-number":["CUFRB65_hea(69)_132_23_62"]}],"id":[{"id":"10.13039\/501100002873","id-type":"DOI","asserted-by":"publisher"}]},{"name":"National Science, Research and Innovation Fund"},{"name":"Kasetsart University Research and Development Institutes","award":["KURDI (FF(KU)6.64)"],"award-info":[{"award-number":["KURDI (FF(KU)6.64)"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["ACS Omega"],"published-print":{"date-parts":[[2022,9,20]]},"DOI":"10.1021\/acsomega.2c04535","type":"journal-article","created":{"date-parts":[[2022,9,6]],"date-time":"2022-09-06T16:06:16Z","timestamp":1662480376000},"page":"33548-33559","source":"Crossref","is-referenced-by-count":24,"title":["Pharmacophore-Based Virtual Screening and Experimental Validation of Pyrazolone-Derived Inhibitors toward Janus Kinases"],"prefix":"10.1021","volume":"7","author":[{"given":"Kamonpan","family":"Sanachai","sequence":"first","affiliation":[{"name":"Center of Excellence in Structural and Computational Biology Research Unit, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok10330, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4389-334X","authenticated-orcid":true,"given":"Panupong","family":"Mahalapbutr","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Medicine, Khon Kaen University, Khon Kaen40002, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8501-3844","authenticated-orcid":true,"given":"Kowit","family":"Hengphasatporn","sequence":"additional","affiliation":[{"name":"Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba305-8577, Ibaraki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3219-6007","authenticated-orcid":true,"given":"Yasuteru","family":"Shigeta","sequence":"additional","affiliation":[{"name":"Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba305-8577, Ibaraki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Supaphorn","family":"Seetaha","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Science, Kasetsart University, Bangkok10900, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lueacha","family":"Tabtimmai","sequence":"additional","affiliation":[{"name":"Department of Biotechnology, Faculty of Applied Science, King Mongkut\u2019s University of Technology North Bangkok, Bangkok10800, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5242-1240","authenticated-orcid":true,"given":"Thierry","family":"Langer","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Althanstra\u00dfe 14, ViennaA-1090, Austria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Peter","family":"Wolschann","sequence":"additional","affiliation":[{"name":"Institute of Theoretical Chemistry, University of Vienna, Vienna1090, Austria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tanakorn","family":"Kittikool","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Bangkok10400, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sirilata","family":"Yotphan","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Bangkok10400, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kiattawee","family":"Choowongkomon","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Science, Kasetsart University, Bangkok10900, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7402-3235","authenticated-orcid":true,"given":"Thanyada","family":"Rungrotmongkol","sequence":"additional","affiliation":[{"name":"Center of Excellence in Structural and Computational Biology Research Unit, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok10330, Thailand"},{"name":"Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok10330, Thailand"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2022,9,6]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-065X.2008.00754.x"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-444-62652-3.00004-1"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1126\/science.1071545"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.4049\/jimmunol.170.12.6057"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.3109\/08977194.2012.660936"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.clml.2011.04.002"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2015.03.059"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1101\/cshperspect.a016295"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2008-12-164004"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/sj.leu.2404081"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2019-01-895136"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.immuni.2019.03.022"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2018.01379"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/jlb.65.6.891"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M115.670224"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jm800662z"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s41375-017-0004-x"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1158\/2159-8290.CD-12-0028"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.cyto.2016.06.017"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-13-0279"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s40259-019-00333-w"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1038\/s41575-020-0273-0"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1038\/nrd3652"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.3390\/ph12010037"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.13167.1"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-05-4280"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.3390\/nu8040211"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1080\/13543776.2017.1252753"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/jm300628c"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2009.10.054"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.6b00247"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M803813200"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2010.11.057"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201402252"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1007\/s11030-013-9497-z"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.9b02800"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.patrec.2005.10.010"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.3390\/scipharm88010002"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0897"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0477"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2011.07.004"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.6b00247"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/jm401546n"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25184154"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c01304"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.3390\/molecules22091397"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2004.11.007"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b01135"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2015.03.059"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2016.04.030"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/jm401490p"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00634"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2009.01.041"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2016.12.020"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2015.04.005"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0222944"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jm1011319"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/j.leukres.2017.05.002"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2016.07.038"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.201800464"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201901770"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1039\/C7OB02860A"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ci049885e"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-14-257"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202000090"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts249"},{"key":"ref67\/cit67","unstructured":"Marvin\nwas Used for Drawing, Displaying and Characterizing Chemical\nStructures, Substructures and Reactions, Marvin 17.21.0, ChemAxon (https:\/\/www.chemaxon.com)."},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0477"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1002\/prot.10465"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1023\/B:JCAM.0000017496.76572.6f"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/ci700136x"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"ref74\/cit74","unstructured":"Case, D. A.; Belfon, K.; Ben-Shalom, I. Y.; Brozell, S. R.; Cerutti, D. S.; Cheatham, T. E.; Cruzeiro, V. W. D., III; Darden, T. A.; Duke, R. E.; Giambasu, G.; Gilson, M. K.; Gohlke, H.; Goetz, A. W.; Harris, R.; Izadi, S.; Izmailov, S. A.; Kasavajhala, K.; Kovalenko, A.; Krasny, R.; Kurtzman, T.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Man, V.; Merz, K. M.; Miao, Y.; Mikhailovskii, O.; Monard, G.; Nguyen, H.; Onufriev, A.; Pan, F.; Pantano, S.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Schott-Verdugo, S.; Shen, J.; Simmerling, C. L.; Skrynnikov, N. R.; Smith, I.; Swails, J.; Walker, R. C.; Wang, J.; Wilson, L.; Wolf, R. M.; Wu, X.; Xiong, Y.; Xue, Y.; York, D. M.; Kollman, P. A. AMBER 2020;University of California: San Francisco, CA, 2020."},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1007\/b99427"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2020.09.032"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.2174\/1568026619666191118110155"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jafc.0c02580"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2019.03.006"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ct300418h"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.2c04535","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.2c04535","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T17:23:02Z","timestamp":1682443382000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acsomega.2c04535"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,6]]},"references-count":85,"journal-issue":{"issue":"37","published-print":{"date-parts":[[2022,9,20]]}},"alternative-id":["10.1021\/acsomega.2c04535"],"URL":"https:\/\/doi.org\/10.1021\/acsomega.2c04535","relation":{},"ISSN":["2470-1343","2470-1343"],"issn-type":[{"value":"2470-1343","type":"print"},{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,6]]}}}