{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T16:56:22Z","timestamp":1788195382054,"version":"build-2803163510"},"reference-count":74,"publisher":"Informa UK Limited","issue":"21","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2023,12,29]]},"DOI":"10.1080\/07391102.2023.2167000","type":"journal-article","created":{"date-parts":[[2023,1,20]],"date-time":"2023-01-20T12:36:00Z","timestamp":1674218160000},"page":"12411-12425","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":38,"title":["The anticancer and EGFR-TK\/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography,\n            <i>in\u00a0vitro<\/i>\n            , and\n            <i>in silico<\/i>\n            mechanistic investigations"],"prefix":"10.1080","volume":"41","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0979-556X","authenticated-orcid":false,"given":"Arafa","family":"Musa","sequence":"first","affiliation":[{"name":"Department of Pharmacognosy, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6084-7065","authenticated-orcid":false,"given":"Saleh K.","family":"Ihmaid","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Department, Faculty of Pharmacy, Jadara University, Irbid, Jordon"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0621-204X","authenticated-orcid":false,"given":"David L.","family":"Hughes","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of East Anglia, Norwich, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3073-5449","authenticated-orcid":false,"given":"Musa A.","family":"Said","sequence":"additional","affiliation":[{"name":"Chemistry Department, College of Sciences, Taibah University, Medina, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6479-4573","authenticated-orcid":false,"given":"Hamada S.","family":"Abulkhair","sequence":"additional","affiliation":[{"name":"Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt"},{"name":"Pharmaceutical Chemistry Department, Faculty of Pharmacy, Horus University-Egypt, International Coastal Road, New Damietta, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed H.","family":"El-Ghorab","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, Jouf university, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9035-5638","authenticated-orcid":false,"given":"Mohamed A.","family":"Abdelgawad","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf university, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1150-1594","authenticated-orcid":false,"given":"Khaled","family":"Shalaby","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutics, College of Pharmacy, Jouf University, Sakaka, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed E.","family":"Shaker","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0393-1890","authenticated-orcid":false,"given":"Khalid Saad","family":"Alharbi","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2604-8075","authenticated-orcid":false,"given":"Nasser Hadal","family":"Alotaibi","sequence":"additional","affiliation":[{"name":"Department of Clinical Pharmacy, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4616-6001","authenticated-orcid":false,"given":"Deborah L.","family":"Kays","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of Nottingham, University Park, Nottingham, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4948-4267","authenticated-orcid":false,"given":"Laurence J.","family":"Taylor","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of Nottingham, University Park, Nottingham, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3954-4879","authenticated-orcid":false,"given":"Della Grace Thomas","family":"Parambi","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf university, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sami I.","family":"Alzarea","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8173-6073","authenticated-orcid":false,"given":"Ahmed A.","family":"Al-Karmalawy","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, Giza, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8898-8452","authenticated-orcid":false,"given":"Hany E. A.","family":"Ahmed","sequence":"additional","affiliation":[{"name":"Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7019-411X","authenticated-orcid":false,"given":"Ahmed M.","family":"El-Agrody","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, Al-Azhar University, Cairo, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2023,1,20]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26216677"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202000449"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2020.103899"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.714"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2017.11.019"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1038\/sigtrans.2016.42"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.1039\/D2RA04015H"},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23010048"},{"key":"e_1_3_3_10_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13205-020-02212-6"},{"key":"e_1_3_3_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0277-5387(97)00504-4"},{"key":"e_1_3_3_12_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13045-020-01007-9"},{"key":"e_1_3_3_13_1","doi-asserted-by":"publisher","DOI":"10.1109\/SC.2006.54"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.18632\/oncotarget.26468"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1177\/1758835919897546"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2021.10.024"},{"key":"e_1_3_3_17_1","unstructured":"CrysAlis. (2013). Data collection and processing software for agilent X-ray diffractometers. https:\/\/www.agilent.com\/cs\/library\/usermanuals\/Public\/CrysAlis_Pro_User_Manual.pdf."},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2020.115835"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.1023\/B:RUJO.0000034978.81993.bd"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202000279"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202000491"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.3390\/cryst12050737"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2021.759148"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2022.132829"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1NJ00710F"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202100278"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11030-020-10070-w"},{"key":"e_1_3_3_28_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0021889812029111"},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2021.131555"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2021.105402"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202100258"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-816435-8.00009-2"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1RA04820A"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2082533"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1039\/b615629k"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.biochi.2015.11.012"},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms19020408"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202000214"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms231810382"},{"key":"e_1_3_3_40_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms231911799"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202100201"},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-022-17082-6"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrd2445"},{"key":"e_1_3_3_44_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2022.106255"},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26113439"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10534-016-9957-x"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP03327C"},{"key":"e_1_3_3_48_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2019.02.027"},{"key":"e_1_3_3_49_1","doi-asserted-by":"publisher","DOI":"10.2174\/138161208786404326"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.18632\/oncotarget.6997"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2021.105347"},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-1759(83)90303-4"},{"key":"e_1_3_3_53_1","doi-asserted-by":"publisher","DOI":"10.3390\/cryst12070982"},{"key":"e_1_3_3_54_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2022.105762"},{"key":"e_1_3_3_55_1","doi-asserted-by":"publisher","DOI":"10.1039\/D2NJ02061K"},{"key":"e_1_3_3_56_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2022.105968"},{"key":"e_1_3_3_57_1","unstructured":"Prince E. (2004). International tables for crystallography Volume C 3rd Edition Mathematical Physical and Chemical Tables 1st ed. Wiley Online Library. https:\/\/www.wiley.com\/en-us\/International+Tables+for+Crystallography%2C+Volume+C%2C+3rd+Edition%2C+Mathematical%2C+Physical+and+Chemical+Tables-p-9780470710296."},{"key":"e_1_3_3_58_1","doi-asserted-by":"publisher","DOI":"10.1039\/P19740002595"},{"key":"e_1_3_3_59_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cdc.2022.100938"},{"key":"e_1_3_3_60_1","doi-asserted-by":"publisher","DOI":"10.1021\/om900900u"},{"key":"e_1_3_3_61_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40011-015-0681-z"},{"key":"e_1_3_3_62_1","doi-asserted-by":"publisher","DOI":"10.1107\/S2053273314026370"},{"key":"e_1_3_3_63_1","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.200700319"},{"key":"e_1_3_3_64_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.steroids.2019.05.002"},{"key":"e_1_3_3_65_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M207135200"},{"key":"e_1_3_3_66_1","unstructured":"The World Health Organization Cancer. (2022). Retrieved May 12 2022 from https:\/\/www.who.int\/news-room\/fact-sheets\/detail\/cancer."},{"key":"e_1_3_3_67_1","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.5570240519"},{"key":"e_1_3_3_68_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.202000170"},{"key":"e_1_3_3_69_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2020.104019"},{"key":"e_1_3_3_70_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23092255"},{"key":"e_1_3_3_71_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-4827(02)00032-0"},{"key":"e_1_3_3_72_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms19113491"},{"key":"e_1_3_3_73_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.09.052"},{"key":"e_1_3_3_74_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1RA08532H"},{"issue":"5","key":"e_1_3_3_75_1","first-page":"1913","article-title":"CDK inhibitors in cancer therapy, an overview of recent development","volume":"11","author":"Zhang M.","year":"2021","unstructured":"Zhang, M., Zhang, L., Hei, R., Li, X., Cai, H., Wu, X., Zheng, Q., & Cai, C. (2021). CDK inhibitors in cancer therapy, an overview of recent development. American Journal of Cancer Research, 11(5), 1913\u20131935. http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34094661.","journal-title":"American Journal of Cancer Research"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2167000","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,12,4]],"date-time":"2023-12-04T12:31:29Z","timestamp":1701693089000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2167000"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,1,20]]},"references-count":74,"journal-issue":{"issue":"21","published-print":{"date-parts":[[2023,12,29]]}},"alternative-id":["10.1080\/07391102.2023.2167000"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2167000","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,1,20]]},"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":"2022-11-10","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-01-03","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-01-20","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}