{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T17:56:05Z","timestamp":1785779765054,"version":"3.56.0"},"reference-count":50,"publisher":"Informa UK Limited","issue":"12","license":[{"start":{"date-parts":[[2025,12,7]],"date-time":"2025-12-07T00:00:00Z","timestamp":1765065600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/doi.org\/10.1080\/policies-text-data-mining"}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2026,8,13]]},"DOI":"10.1080\/07391102.2025.2597290","type":"journal-article","created":{"date-parts":[[2025,12,7]],"date-time":"2025-12-07T17:25:58Z","timestamp":1765128358000},"page":"5532-5553","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":1,"title":["Molecular insight, rational chemical design and computational assessment of thiazole-based DHODH inhibitors: from structural modelling to binding free energy calculations"],"prefix":"10.1080","volume":"44","author":[{"given":"Khadija","family":"Zaki","sequence":"first","affiliation":[{"name":"Molecular Chemistry and Natural Substances Laboratory, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed","family":"Ouabane","sequence":"additional","affiliation":[{"name":"Molecular Chemistry and Natural Substances Laboratory, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]},{"name":"Chemistry-Biology Applied to the Environment URL CNRT 13, Department of Chemistry, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdelkrim","family":"Guendouzi","sequence":"additional","affiliation":[{"name":"Chemistry, Synthesis, Properties and Applications, Department of Chemistry, Saida University, Faculty of Sciences","place":["Saida, Algeria"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marwa","family":"Alaqarbeh","sequence":"additional","affiliation":[{"name":"Applied Science Research Center, Applied Science Private University","place":["Amman, Jordan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdelouahid","family":"Sbai","sequence":"additional","affiliation":[{"name":"Molecular Chemistry and Natural Substances Laboratory, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chakib","family":"Sekkate","sequence":"additional","affiliation":[{"name":"Chemistry-Biology Applied to the Environment URL CNRT 13, Department of Chemistry, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tahar","family":"Lakhlifi","sequence":"additional","affiliation":[{"name":"Molecular Chemistry and Natural Substances Laboratory, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed","family":"Bouachrine","sequence":"additional","affiliation":[{"name":"Molecular Chemistry and Natural Substances Laboratory, Moulay Ismail University, Faculty of Science","place":["Meknes, Morocco"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2025,12,7]]},"reference":[{"key":"e_1_3_4_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.0c00466"},{"key":"e_1_3_4_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/v11100964"},{"key":"e_1_3_4_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm0506975"},{"key":"e_1_3_4_5_1","doi-asserted-by":"publisher","DOI":"10.48317\/IMIST.PRSM\/MORJCHEM-V10I3.33141"},{"key":"e_1_3_4_6_1","doi-asserted-by":"publisher","DOI":"10.1136\/ard.59.11.841"},{"key":"e_1_3_4_7_1","doi-asserted-by":"publisher","DOI":"10.1023\/A:1016066529642"},{"key":"e_1_3_4_8_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00124364"},{"key":"e_1_3_4_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00119a045"},{"key":"e_1_3_4_10_1","first-page":"5014","article-title":"Mechanism of action of the novel anticancer agent 6-fluoro-2-(2\u2019-fluoro-1,1\u2019-biphenyl-4-yl)-3-methyl-4-quinolinecarbo xylic acid sodium salt (NSC 368390): Inhibition of de novo pyrimidine nucleotide biosynthesis","volume":"46","author":"Chen S. F.","year":"1986","unstructured":"Chen, S. F., Ruben, R. L., & Dexter, D. L. (1986). Mechanism of action of the novel anticancer agent 6-fluoro-2-(2\u2019-fluoro-1,1\u2019-biphenyl-4-yl)-3-methyl-4-quinolinecarbo xylic acid sodium salt (NSC 368390): Inhibition of de novo pyrimidine nucleotide biosynthesis. Cancer Research, 46, 5014\u20135019.","journal-title":"Cancer Research,"},{"key":"e_1_3_4_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm950771r"},{"key":"e_1_3_4_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.19930120205"},{"key":"e_1_3_4_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100804"},{"key":"e_1_3_4_14_1","doi-asserted-by":"publisher","DOI":"10.1002\/1529-0131(200109)44:9"},{"key":"e_1_3_4_15_1","doi-asserted-by":"publisher","DOI":"10.1002\/cem.1180060604"},{"key":"e_1_3_4_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2016.08.007"},{"key":"e_1_3_4_17_1","doi-asserted-by":"publisher","DOI":"10.48317\/IMIST.PRSM\/MORJCHEM-V11I3.40986"},{"key":"e_1_3_4_18_1","doi-asserted-by":"publisher","DOI":"10.1093\/rheumatology\/39.6.655"},{"key":"e_1_3_4_19_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.R400007200"},{"key":"e_1_3_4_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/0040-4020(80)80168-2"},{"key":"e_1_3_4_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(01)00123-1"},{"key":"e_1_3_4_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/s0162-3109(00)00191-0"},{"key":"e_1_3_4_23_1","doi-asserted-by":"publisher","DOI":"10.1080\/15569520701662866"},{"key":"e_1_3_4_24_1","doi-asserted-by":"publisher","DOI":"10.2174\/138955711797247707"},{"key":"e_1_3_4_25_1","doi-asserted-by":"publisher","DOI":"10.48317\/IMIST.PRSM\/MORJCHEM-V10I4.34702"},{"key":"e_1_3_4_26_1","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008047919606"},{"key":"e_1_3_4_27_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pgen.1009117"},{"key":"e_1_3_4_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/s0969-2126(00)00077-0"},{"key":"e_1_3_4_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2024.107198"},{"key":"e_1_3_4_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molmed.2005.07.003"},{"key":"e_1_3_4_31_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b01862"},{"issue":"3","key":"e_1_3_4_32_1","first-page":"48","article-title":"Use of brequinar sodium for preventing cardiac allograft rejection in primates","volume":"25","author":"Makowka L.","year":"1993","unstructured":"Makowka, L., Tixier, D., Chaux, A., Hill, D., O\u2019Neill, P., Eiras-Hreha, G., Wu, G. D., Cunneen, S., Cajulis, E., & Zajac, I. (1993). Use of brequinar sodium for preventing cardiac allograft rejection in primates. Transplantation Proceedings, 25(3 Suppl 2), 48\u201353.","journal-title":"Transplantation Proceedings,"},{"key":"e_1_3_4_33_1","doi-asserted-by":"publisher","DOI":"10.48419\/IMIST.PRSM\/RHAZES-V14.31151"},{"key":"e_1_3_4_34_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2024.108816"},{"key":"e_1_3_4_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0300-483X(98)00026-2"},{"key":"e_1_3_4_36_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2008.04.006"},{"key":"e_1_3_4_37_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b00373"},{"key":"e_1_3_4_38_1","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2015.1095238"},{"key":"e_1_3_4_39_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2023.106990"},{"key":"e_1_3_4_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2024.107179"},{"key":"e_1_3_4_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2015.07.005"},{"key":"e_1_3_4_42_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11224-022-01903-5"},{"key":"e_1_3_4_43_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2023.2183032"},{"key":"e_1_3_4_44_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13238-020-00768-w"},{"key":"e_1_3_4_45_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11426-009-0167-z"},{"key":"e_1_3_4_46_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2024.109051"},{"key":"e_1_3_4_47_1","doi-asserted-by":"publisher","DOI":"10.48419\/IMIST.PRSM\/RHAZES-V16.35243"},{"key":"e_1_3_4_48_1","doi-asserted-by":"publisher","DOI":"10.1007\/s44371-025-00205-z"},{"key":"e_1_3_4_49_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci0498113"},{"key":"e_1_3_4_50_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm501127s"},{"key":"e_1_3_4_51_1","doi-asserted-by":"publisher","DOI":"10.48419\/IMIST.PRSM\/RHAZES-V16.35351"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2025.2597290","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.tandfonline.com\/doi\/full-xml\/10.1080\/07391102.2025.2597290","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2025.2597290","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T17:32:00Z","timestamp":1785778320000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2025.2597290"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,12,7]]},"references-count":50,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2026,8,13]]}},"alternative-id":["10.1080\/07391102.2025.2597290"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2025.2597290","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,12,7]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2025-08-07","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-11-25","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-12-07","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}