{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T12:51:28Z","timestamp":1774097488499,"version":"3.50.1"},"reference-count":49,"publisher":"American Chemical Society (ACS)","issue":"1","license":[{"start":{"date-parts":[[2024,12,31]],"date-time":"2024-12-31T00:00:00Z","timestamp":1735603200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004663","name":"Ministry of Science and Technology, Taiwan","doi-asserted-by":"publisher","award":["MOST 111-2320-B-002-046-MY3"],"award-info":[{"award-number":["MOST 111-2320-B-002-046-MY3"]}],"id":[{"id":"10.13039\/501100004663","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004663","name":"Ministry of Science and Technology, Taiwan","doi-asserted-by":"publisher","award":["MOST 113-2320-B-038-056-MY3"],"award-info":[{"award-number":["MOST 113-2320-B-038-056-MY3"]}],"id":[{"id":"10.13039\/501100004663","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Ministry of Education, Taiwan"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,1,13]]},"DOI":"10.1021\/acs.jcim.4c02011","type":"journal-article","created":{"date-parts":[[2024,12,31]],"date-time":"2024-12-31T21:00:03Z","timestamp":1735678803000},"page":"378-389","source":"Crossref","is-referenced-by-count":4,"title":["Identification of a Potent CDK8 Inhibitor Using Structure-Based Virtual Screening"],"prefix":"10.1021","volume":"65","author":[{"given":"Tony Eight","family":"Lin","sequence":"first","affiliation":[{"name":"Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"}]},{"given":"Ching-Hsuan","family":"Chou","sequence":"additional","affiliation":[{"name":"School of Pharmacy, College of Medicine, National Taiwan University, Taipei 10051, Taiwan"}]},{"given":"Yi-Wen","family":"Wu","sequence":"additional","affiliation":[{"name":"Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"}]},{"given":"Tzu-Ying","family":"Sung","sequence":"additional","affiliation":[{"name":"Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"}]},{"given":"Jui-Yi","family":"Hsu","sequence":"additional","affiliation":[{"name":"Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"}]},{"given":"Shih-Chung","family":"Yen","sequence":"additional","affiliation":[{"name":"Warshel Institute for Computational Biology, The Chinese University of Hong Kong (Shenzhen), Shenzhen, Guangdong 518172, People\u2019s Republic of China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1620-1571","authenticated-orcid":true,"given":"Jui-Hua","family":"Hsieh","sequence":"additional","affiliation":[{"name":"Division of Translational Toxicology, National Institute of Environmental Health Sciences, National Institutes of Health, Durham, North Carolina 27709-2233, United States"}]},{"given":"Yu-Wei","family":"Chang","sequence":"additional","affiliation":[{"name":"Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Keelung Medical Center, Keelung 20401,Taiwan"}]},{"given":"Shiow-Lin","family":"Pan","sequence":"additional","affiliation":[{"name":"Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Ph.D. Program in Drug Discovery and Development Industry, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"TMU Research Center of Cancer Translational Medicine, Taipei Medical University, Taipei 11031,Taiwan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9548-5829","authenticated-orcid":true,"given":"Wei-Jan","family":"Huang","sequence":"additional","affiliation":[{"name":"Ph.D. Program in Drug Discovery and Development Industry, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"School of Pharmacy, Taipei Medical University, Taipei 10051, Taiwan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9022-6673","authenticated-orcid":true,"given":"Kai-Cheng","family":"Hsu","sequence":"additional","affiliation":[{"name":"Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"Ph.D. Program in Drug Discovery and Development Industry, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan"},{"name":"TMU Research Center of Cancer Translational Medicine, Taipei Medical University, Taipei 11031,Taiwan"},{"name":"Cancer Center, Wan Fang Hospital, Taipei Medical University, Taipei 11696,Taiwan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5990-1346","authenticated-orcid":true,"given":"Chia-Ron","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Pharmacy, College of Medicine, National Taiwan University, Taipei 10051, Taiwan"}]}],"member":"316","published-online":{"date-parts":[[2024,12,31]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/s41591-019-0675-0"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.gene.2022.147142"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-36314-5"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/nrdp.2017.74"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa1402584"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa1402582"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2020.581828"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1136\/ejhpharm-2018-001806"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/s41580-018-0007-0"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1084\/jem.20190103"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2023.114667"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-40617-y"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.113043"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/s41392-024-01764-w"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2023.114258"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2009.09.035"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c01171"},{"key":"ref18\/cit18","volume-title":"Schr\u00f6dinger Release 2022\u20132","year":"2024"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acschembio.7b00903"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(00)00129-0"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jm020017n"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.3c00212"},{"key":"ref25\/cit25","volume-title":"Pipeline Pilot release 2021"},{"key":"ref26\/cit26","volume-title":"The PyMOL Molecular Graphics System","year":"2024"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00839"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","unstructured":"Hoyt, C. T.; Lin, J. H. Y.; Rafael; Gadiya, Y. cthoyt\/chembl-downloader: v0.4.5 (v0.4.5). Zenodo 2024. DOI: 10.5281\/zenodo.10594346.","DOI":"10.5281\/zenodo.10594346"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","unstructured":"Mary, H.; Noutahi, E.; DomInvivo, L.; Zhu, L.; Moreau, M.; Pak, S.; Gilmour, D.; Whitfield, S.; Valence-JonnyHsu;  datamol-io\/datamol: 0.12.3 (0.12.3). Zenodo 2024. DOI: 10.5281\/zenodo.5131279.","DOI":"10.5281\/zenodo.5131279"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.21105\/joss.03021"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jm001044l"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2024.107059"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv1082"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112443"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1305378110"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.6b00044"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2015.10.021"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-021-00195-4"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0069-3"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00640"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2011.12.006"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2019.109320"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1710467114"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200904778"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b01685"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2021.112459"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5007"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1111\/cas.13922"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2024.107374"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02011","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02011","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T09:12:05Z","timestamp":1736759525000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c02011"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,12,31]]},"references-count":49,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2025,1,13]]}},"alternative-id":["10.1021\/acs.jcim.4c02011"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c02011","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,12,31]]}}}