{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,27]],"date-time":"2026-09-27T17:42:52Z","timestamp":1790530972816,"version":"4.1.0"},"reference-count":77,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004242","name":"Princess Nourah bint Abdulrahman University","doi-asserted-by":"publisher","award":["PNURSP2026R142"],"award-info":[{"award-number":["PNURSP2026R142"]}],"id":[{"id":"10.13039\/501100004242","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2026,9]]},"DOI":"10.1016\/j.bioorg.2026.110027","type":"journal-article","created":{"date-parts":[[2026,5,25]],"date-time":"2026-05-25T16:06:05Z","timestamp":1779725165000},"page":"110027","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":1,"special_numbering":"C","title":["New N-(isoxazol-3-yl)-4-(1,3,4-thiadiazol-3(2H)-yl)benzenesulfonamide derivatives as potent Aurora kinases inhibitors: Design, synthesis and anti-proliferative activity"],"prefix":"10.1016","volume":"179","author":[{"given":"Bshra A.","family":"Alsfouk","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hazem","family":"Elkady","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Walid E.","family":"Elgammal","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed","family":"Nofal","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hazem A.","family":"Mahdy","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dalal Z.","family":"Husein","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatma G.","family":"Amin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eslam B.","family":"Elkaeed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ibrahim H.","family":"Eissa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed M.","family":"Metwaly","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"11","key":"10.1016\/j.bioorg.2026.110027_bb0005","doi-asserted-by":"crossref","DOI":"10.1001\/jamanetworkopen.2024.43198","article-title":"Global disparities of cancer and its projected burden in 2050","volume":"7","author":"Bizuayehu","year":"2024","journal-title":"JAMA Netw. Open"},{"issue":"1","key":"10.1016\/j.bioorg.2026.110027_bb0010","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1186\/s13045-024-01623-9","article-title":"Global cancer statistics for adolescents and young adults: population based study","volume":"17","author":"Li","year":"2024","journal-title":"J. Hematol. Oncol."},{"issue":"12","key":"10.1016\/j.bioorg.2026.110027_bb0015","doi-asserted-by":"crossref","first-page":"927","DOI":"10.1038\/nrc1502","article-title":"Aurora-kinase inhibitors as anticancer agents","volume":"4","author":"Keen","year":"2004","journal-title":"Nat. Rev. Cancer"},{"issue":"1","key":"10.1016\/j.bioorg.2026.110027_bb0020","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1186\/s13008-018-0040-6","article-title":"The functional diversity of Aurora kinases: a comprehensive review","volume":"13","author":"Willems","year":"2018","journal-title":"Cell Div"},{"issue":"7","key":"10.1016\/j.bioorg.2026.110027_bb0025","doi-asserted-by":"crossref","first-page":"1109","DOI":"10.1083\/jcb.200108051","article-title":"Aurora-a kinase is required for centrosome maturation in Caenorhabditis elegans","volume":"155","author":"Hannak","year":"2001","journal-title":"J. Cell Biol."},{"issue":"4","key":"10.1016\/j.bioorg.2026.110027_bb0030","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1083\/jcb.152.4.669","article-title":"Drosophila aurora B kinase is required for histone H3 phosphorylation and condensin recruitment during chromosome condensation and to organize the central spindle during cytokinesis","volume":"152","author":"Giet","year":"2001","journal-title":"J. Cell Biol."},{"issue":"9_Supplement","key":"10.1016\/j.bioorg.2026.110027_bb0035","first-page":"5644","article-title":"Anti-tumor activity of CYC116, a novel small molecule inhibitor of aurora kinases and VEGFR2","volume":"68","author":"Griffiths","year":"2008","journal-title":"Cancer Res."},{"issue":"8","key":"10.1016\/j.bioorg.2026.110027_bb0040","doi-asserted-by":"crossref","first-page":"1572","DOI":"10.1016\/j.biocel.2005.02.021","article-title":"Aurora kinases","volume":"37","author":"Bolanos-Garcia","year":"2005","journal-title":"Int. J. Biochem. Cell Biol."},{"key":"10.1016\/j.bioorg.2026.110027_bb0045","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2024.139743","article-title":"Flurbiprofen clubbed Schiff's base derivatives as potent anticancer agents: in vitro and in silico approach towards breast cancer","volume":"1321","author":"Alam","year":"2025","journal-title":"J. Mol. Struct."},{"issue":"3","key":"10.1016\/j.bioorg.2026.110027_bb0050","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202402096","article-title":"Synthesis, urease inhibitory activity, molecular docking, dynamics, MMGBSA and DFT studies of hydrazone-Schiff bases bearing benzimidazole scaffold","volume":"22","author":"Shakoor","year":"2025","journal-title":"Chem. Biodivers."},{"issue":"15","key":"10.1016\/j.bioorg.2026.110027_bb0055","doi-asserted-by":"crossref","first-page":"8499","DOI":"10.1080\/07391102.2024.2319677","article-title":"Novel hydrazone Schiff's base derivatives of polyhydroquinoline: synthesis, in vitro prolyl oligopeptidase inhibitory activity and their molecular docking study","volume":"43","author":"Talab","year":"2025","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"8","key":"10.1016\/j.bioorg.2026.110027_bb0060","doi-asserted-by":"crossref","DOI":"10.1002\/slct.202304601","article-title":"Investigating novel thiophene carbaldehyde based thiazole derivatives as potential hits for diabetic management: synthesis, in vitro and in silico approach","volume":"9","author":"Ullah","year":"2024","journal-title":"ChemistrySelect"},{"key":"10.1016\/j.bioorg.2026.110027_bb0065","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2024.116898","article-title":"Isoxazole compounds: unveiling the synthetic strategy, in-silico SAR & toxicity studies and future perspective as PARP inhibitor in cancer therapy","volume":"279","author":"Malik","year":"2024","journal-title":"Eur. J. Med. Chem."},{"issue":"8","key":"10.1016\/j.bioorg.2026.110027_bb0070","doi-asserted-by":"crossref","DOI":"10.1016\/j.drudis.2024.104059","article-title":"Targeting hematological malignancies with isoxazole derivatives","volume":"29","author":"Majirsk\u00e1","year":"2024","journal-title":"Drug Discov. Today"},{"issue":"27","key":"10.1016\/j.bioorg.2026.110027_bb0075","doi-asserted-by":"crossref","first-page":"18856","DOI":"10.1039\/D4RA02856B","article-title":"Exploring the impact of trifluoromethyl (-CF(3)) functional group on the anti-cancer activity of isoxazole-based molecules: design, synthesis, biological evaluation and molecular docking analysis","volume":"14","author":"Pattanayak","year":"2024","journal-title":"RSC Adv."},{"issue":"34","key":"10.1016\/j.bioorg.2026.110027_bb0080","doi-asserted-by":"crossref","first-page":"24992","DOI":"10.1039\/D4RA05091F","article-title":"Synthesis of novel piperazine-based bis(thiazole)(1,3,4-thiadiazole) hybrids as anti-cancer agents through caspase-dependent apoptosis","volume":"14","author":"Mohamed","year":"2024","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2026.110027_bb0085","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2025.144717","article-title":"2,3-Dihydro-1,3,4-thiadiazoles as dual B-Raf\/VEGFR-2 inhibitors: design, synthesis, and anti-breast cancer assessment","volume":"1354","author":"Elgammal","year":"2026","journal-title":"J. Mol. Struct."},{"issue":"9","key":"10.1016\/j.bioorg.2026.110027_bb0090","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0328305","article-title":"A novel sulfamoylphenyl-dihydro-thiadiazole derivative as a dual EGFR and carbonic anhydrase inhibitor for cancer therapy","volume":"20","author":"Eissa","year":"2025","journal-title":"PLoS ONE"},{"issue":"12","key":"10.1016\/j.bioorg.2026.110027_bb0095","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202501361","article-title":"1,3,4-Thiadiazole derivatives as VEGFR-2 inhibitors and its molecular insight for Cancer therapy","volume":"22","author":"Gawande","year":"2025","journal-title":"Chem. Biodivers."},{"issue":"17","key":"10.1016\/j.bioorg.2026.110027_bb0100","doi-asserted-by":"crossref","first-page":"2145","DOI":"10.1080\/17568919.2025.2552639","article-title":"Discovery of new thiadiazole-based VEGFR-2 inhibitors: design, synthesis, cytotoxicity, and apoptosis induction","volume":"17","author":"Elkaeed","year":"2025","journal-title":"Future Med. Chem."},{"issue":"9","key":"10.1016\/j.bioorg.2026.110027_bb0105","doi-asserted-by":"crossref","first-page":"1023","DOI":"10.1080\/17568919.2025.2498879","article-title":"Development of new anticancer thiadiazole-sulfonamides as dual EGFR\/carbonic anhydrase inhibitors","volume":"17","author":"Eissa","year":"2025","journal-title":"Future Med. Chem."},{"issue":"2","key":"10.1016\/j.bioorg.2026.110027_bb0110","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1083\/jcb.200208092","article-title":"The small molecule Hesperadin reveals a role for Aurora B in correcting kinetochore\u2013microtubule attachment and in maintaining the spindle assembly checkpoint","volume":"161","author":"Hauf","year":"2003","journal-title":"J. Cell Biol."},{"issue":"6","key":"10.1016\/j.bioorg.2026.110027_bb0115","doi-asserted-by":"crossref","first-page":"585","DOI":"10.1111\/1440-1681.12571","article-title":"An update on the pharmacokinetics and pharmacodynamics of alisertib, a selective Aurora kinase A inhibitor","volume":"43","author":"Durlacher","year":"2016","journal-title":"Clin. Exp. Pharmacol. Physiol."},{"issue":"5","key":"10.1016\/j.bioorg.2026.110027_bb0120","doi-asserted-by":"crossref","first-page":"1785","DOI":"10.3892\/or.2013.2313","article-title":"Inhibition of Cdk2 activity decreases Aurora-a kinase centrosomal localization and prevents centrosome amplification in breast cancer cells","volume":"29","author":"Leontovich","year":"2013","journal-title":"Oncol. Rep."},{"issue":"9","key":"10.1016\/j.bioorg.2026.110027_bb0125","doi-asserted-by":"crossref","first-page":"2213","DOI":"10.1021\/jm061335f","article-title":"Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase","volume":"50","author":"Mortlock","year":"2007","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110027_bb0130","doi-asserted-by":"crossref","first-page":"370","DOI":"10.1007\/s10637-012-9825-7","article-title":"Phase I study of barasertib (AZD1152), a selective inhibitor of Aurora B kinase, in patients with advanced solid tumors","volume":"31","author":"Schwartz","year":"2013","journal-title":"Investig. New Drugs"},{"key":"10.1016\/j.bioorg.2026.110027_bb0135","first-page":"B220","article-title":"Biological characterization of AZD1152, a highly potent and selective inhibitor of aurora kinase activity","volume":"11","author":"Keen","year":"2005","journal-title":"Clin. Cancer Res."},{"issue":"3","key":"10.1016\/j.bioorg.2026.110027_bb0140","doi-asserted-by":"crossref","first-page":"262","DOI":"10.1038\/nm1003","article-title":"VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo","volume":"10","author":"Harrington","year":"2004","journal-title":"Nat. Med."},{"issue":"2","key":"10.1016\/j.bioorg.2026.110027_bb0145","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/j.critrevonc.2009.03.009","article-title":"Aurora kinase inhibitors","volume":"73","author":"Kitzen","year":"2010","journal-title":"Crit. Rev. Oncol. Hematol."},{"issue":"10","key":"10.1016\/j.bioorg.2026.110027_bb0150","doi-asserted-by":"crossref","first-page":"742","DOI":"10.14740\/jocmr2295w","article-title":"Aurora kinases and potential medical applications of aurora kinase inhibitors: a review","volume":"7","author":"Gavriilidis","year":"2015","journal-title":"J. Clin. Med. Res."},{"issue":"8","key":"10.1016\/j.bioorg.2026.110027_bb0155","first-page":"4355","article-title":"Simultaneous targeting of Aurora kinases and Bcr-Abl kinase by the small molecule inhibitor PHA-739358 is effective against imatinib-resistant BCR-ABL mutations including T315I","volume":"111","author":"Gontarewicz","year":"2008","journal-title":"Blood, J. Am. Soc. Hematol."},{"issue":"12","key":"10.1016\/j.bioorg.2026.110027_bb0160","doi-asserted-by":"crossref","first-page":"3158","DOI":"10.1158\/1535-7163.MCT-07-0444","article-title":"PHA-739358, a potent inhibitor of Aurora kinases with a selective target inhibition profile relevant to cancer","volume":"6","author":"Carpinelli","year":"2007","journal-title":"Mol. Cancer Ther."},{"issue":"3","key":"10.1016\/j.bioorg.2026.110027_bb0165","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1517\/13543784.2012.652303","article-title":"Danusertib, an aurora kinase inhibitor","volume":"21","author":"Meulenbeld","year":"2012","journal-title":"Expert Opin. Investig. Drugs"},{"key":"10.1016\/j.bioorg.2026.110027_bb0170","first-page":"1293","author":"Yuan","year":"2015","journal-title":"Drug Des. Devel. Ther."},{"issue":"4","key":"10.1016\/j.bioorg.2026.110027_bb0175","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1530\/REP-10-0223","article-title":"The Aurora kinase inhibitor ZM447439 accelerates first meiosis in mouse oocytes by overriding the spindle assembly checkpoint","volume":"140","author":"Lane","year":"2010","journal-title":"Reproduction"},{"issue":"7","key":"10.1016\/j.bioorg.2026.110027_bb0180","doi-asserted-by":"crossref","first-page":"1808","DOI":"10.1158\/1535-7163.MCT-09-0041","article-title":"GSK1070916, a potent Aurora B\/C kinase inhibitor with broad antitumor activity in tissue culture cells and human tumor xenograft models","volume":"8","author":"Hardwicke","year":"2009","journal-title":"Mol. Cancer Ther."},{"issue":"4","key":"10.1016\/j.bioorg.2026.110027_bb0185","doi-asserted-by":"crossref","first-page":"883","DOI":"10.1158\/1535-7163.MCT-09-0915","article-title":"PF-03814735, an orally bioavailable small molecule aurora kinase inhibitor for cancer therapy","volume":"9","author":"Jani","year":"2010","journal-title":"Mol. Cancer Ther."},{"issue":"12","key":"10.1016\/j.bioorg.2026.110027_bb0190","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0113773","article-title":"Specificity rendering \u2018hot-spots\u2019 for aurora kinase inhibitor design: the role of non-covalent interactions and conformational transitions","volume":"9","author":"Badrinarayan","year":"2014","journal-title":"PLoS ONE"},{"key":"10.1016\/j.bioorg.2026.110027_bb0195","doi-asserted-by":"crossref","unstructured":"G.S. Falchook, C.C. Bastida, R. Kurzrock, Aurora kinase inhibitors in oncology clinical trials: current state of the progress, Semin. Oncol., Elsevier, 2015, pp. 832\u2013848.","DOI":"10.1053\/j.seminoncol.2015.09.022"},{"issue":"14","key":"10.1016\/j.bioorg.2026.110027_bb0200","doi-asserted-by":"crossref","first-page":"2611","DOI":"10.1002\/cncr.28113","article-title":"Stage I of a phase 2 study assessing the efficacy, safety, and tolerability of barasertib (AZD1152) versus low-dose cytosine arabinoside in elderly patients with acute myeloid leukemia","volume":"119","author":"Kantarjian","year":"2013","journal-title":"Cancer"},{"issue":"10289","key":"10.1016\/j.bioorg.2026.110027_bb0205","doi-asserted-by":"crossref","first-page":"2070","DOI":"10.1016\/S0140-6736(21)00578-X","article-title":"Efficacy and safety of voclosporin versus placebo for lupus nephritis (AURORA 1): a double-blind, randomised, multicentre, placebo-controlled, phase 3 trial","volume":"397","author":"Rovin","year":"2021","journal-title":"Lancet (London, England)"},{"issue":"Pt 2","key":"10.1016\/j.bioorg.2026.110027_bb0210","article-title":"A comprehensive review on role of Aurora kinase inhibitors (AKIs) in cancer therapeutics","volume":"265","author":"Gupta","year":"2024","journal-title":"Int. J. Biol. Macromol."},{"issue":"5","key":"10.1016\/j.bioorg.2026.110027_bb0215","doi-asserted-by":"crossref","DOI":"10.1177\/17475198251367070","article-title":"Computer-aided drug discovery of potential semisynthetic inhibitors for SARS-CoV-2 main protease: a multi-phase computational approach","volume":"49","author":"Metwaly","year":"2025","journal-title":"J. Chem. Res."},{"issue":"29","key":"10.1016\/j.bioorg.2026.110027_bb0220","doi-asserted-by":"crossref","first-page":"6353","DOI":"10.2174\/0109298673339634241210151734","article-title":"Integrated in silico and in vitro studies of Rutin's potential against SARS-CoV-2 through the inhibition of the RNA-dependent RNA polymerase","volume":"32","author":"Metwaly","year":"2025","journal-title":"Curr. Med. Chem."},{"issue":"6","key":"10.1016\/j.bioorg.2026.110027_bb0225","doi-asserted-by":"crossref","DOI":"10.1177\/13596535241305536","article-title":"Repurposing FDA-approved drugs for COVID-19: targeting the main protease through multi-phase in silico approach","volume":"29","author":"Metwaly","year":"2024","journal-title":"Antivir. Ther."},{"issue":"09","key":"10.1016\/j.bioorg.2026.110027_bb0230","first-page":"1209","article-title":"Repurposing FDA-approved drugs as potential inhibitors of SARS-CoV-2 PLpro: a comprehensive computational study","volume":"23","author":"Metwaly","year":"2024","journal-title":"Comput. Biol. Med."},{"issue":"6","key":"10.1016\/j.bioorg.2026.110027_bb0235","article-title":"Discovery of potential FDA-approved SARS-CoV-2 Papain-like protease inhibitors: a multi-phase in silico approach","volume":"48","author":"Metwaly","year":"2024","journal-title":"Life (Basel)"},{"issue":"12","key":"10.1016\/j.bioorg.2026.110027_bb0240","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0338135","article-title":"Aotaphenazine, a rare hydrophenazine, targets topoisomerase II with anticancer efficacy: in silico to in vitro evidence","volume":"20","author":"Metwaly","year":"2025","journal-title":"PLoS ONE"},{"key":"10.1016\/j.bioorg.2026.110027_bb0245","first-page":"1","article-title":"Integrated computational and experimental discovery of a promising xanthine derivative with anticancer potential targeting EGFR","author":"Elkaeed","year":"2025","journal-title":"Curr. Cancer Drug Targets"},{"issue":"3","key":"10.1016\/j.bioorg.2026.110027_bb0250","doi-asserted-by":"crossref","first-page":"1153","DOI":"10.1007\/s11030-023-10644-4","article-title":"New apoptotic anti-triple-negative breast cancer theobromine derivative inhibiting EGFRWT and EGFR(T790M): in silico and in vitro evaluation","volume":"28","author":"Eissa","year":"2024","journal-title":"Mol. Divers."},{"issue":"24","key":"10.1016\/j.bioorg.2026.110027_bb0255","doi-asserted-by":"crossref","first-page":"2959","DOI":"10.1080\/17568919.2025.2587566","article-title":"Development of novel furan-based VEGFR-2 inhibitors and apoptotic inducers for colorectal cancer","volume":"17","author":"Elkaeed","year":"2025","journal-title":"Future Med. Chem."},{"issue":"11","key":"10.1016\/j.bioorg.2026.110027_bb0260","first-page":"1","article-title":"VEGFR-2-targeted semisynthetic theobromine derivative: a computer-aided drug design (CADD) approach","volume":"25","author":"Elkaeed","year":"2025","journal-title":"J. Comput. Biophys. Chem."},{"issue":"7","key":"10.1016\/j.bioorg.2026.110027_bb0265","doi-asserted-by":"crossref","DOI":"10.1002\/ardp.70042","article-title":"Development of new Thiadiazole derivatives as VEGFR-2 inhibitors with anticancer and Proapoptotic activities","volume":"358","author":"Elkady","year":"2025","journal-title":"Arch. Pharm. (Weinheim)"},{"issue":"51","key":"10.1016\/j.bioorg.2026.110027_bb0270","doi-asserted-by":"crossref","first-page":"35853","DOI":"10.1039\/D3RA07562A","article-title":"Rationale design and synthesis of new apoptotic thiadiazole derivatives targeting VEGFR-2: computational and in vitro studies","volume":"13","author":"Elgammal","year":"2023","journal-title":"RSC Adv."},{"issue":"35","key":"10.1016\/j.bioorg.2026.110027_bb0275","doi-asserted-by":"crossref","first-page":"39772","DOI":"10.1021\/acsomega.5c03503","article-title":"Novel sulfonamide derivatives as anticancer agents, VEGFR-2 inhibitors, and apoptosis triggers: design, synthesis, and computational studies","volume":"10","author":"Al-Ziyadi","year":"2025","journal-title":"ACS Omega"},{"issue":"6","key":"10.1016\/j.bioorg.2026.110027_bb0280","doi-asserted-by":"crossref","DOI":"10.1177\/17475198251400403","article-title":"A novel thiadiazole-based dual inhibitor of carbonic anhydrase-IX and epidermal growth factor receptor targeting cancer: a combined in silico and in vitro approach","volume":"49","author":"Elkaeed","year":"2025","journal-title":"J. Chem. Res."},{"issue":"25","key":"10.1016\/j.bioorg.2026.110027_bb0285","doi-asserted-by":"crossref","DOI":"10.1002\/slct.202501319","article-title":"Innovative nicotinamide-Dihydrothiadiazole compounds for targeting VEGFR-2: design, synthesis, and mechanistic exploration in breast Cancer treatment","volume":"10","author":"Metwaly","year":"2025","journal-title":"ChemistrySelect"},{"key":"10.1016\/j.bioorg.2026.110027_bb0290","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2025.143544","article-title":"Development of new thiadiazole-based compounds targeting VEGFR-2: in vitro anticancer evaluation, mechanistic investigations, and in silico studies","author":"Alsfouk","year":"2025","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2026.110027_bb0295","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2024.107157","article-title":"Design, synthesis, and anticancer evaluation of N-sulfonylpiperidines as potential VEGFR-2 inhibitors, apoptotic inducers","volume":"145","author":"Elgammal","year":"2024","journal-title":"Bioorg. Chem."},{"issue":"1","key":"10.1016\/j.bioorg.2026.110027_bb0300","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1080\/13543784.2018.1417382","article-title":"Alisertib: a review of pharmacokinetics, efficacy and toxicity in patients with hematologic malignancies and solid tumors","volume":"27","author":"Liewer","year":"2018","journal-title":"Expert Opin. Investig. Drugs"},{"issue":"2","key":"10.1016\/j.bioorg.2026.110027_bb0305","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.bcp.2009.08.011","article-title":"Aurora kinase inhibitor ZM447439 induces apoptosis via mitochondrial pathways","volume":"79","author":"Li","year":"2010","journal-title":"Biochem. Pharmacol."},{"issue":"1","key":"10.1016\/j.bioorg.2026.110027_bb0310","doi-asserted-by":"crossref","DOI":"10.1111\/cbdd.70156","article-title":"New Thiadiazole-Benzenesulfonamide hybrids as dual B-Raf\/VEGFR-2 inhibitors with promising anti-hepatic cancer activity","volume":"106","author":"Alsfouk","year":"2025","journal-title":"Chem. Biol. Drug Des."},{"key":"10.1016\/j.bioorg.2026.110027_bb0315","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2020.129843","article-title":"Design, synthesis and molecular docking study of new purine derivatives as Aurora kinase inhibitors","volume":"1229","author":"Khalifa","year":"2021","journal-title":"J. Mol. Struct."},{"issue":"10","key":"10.1016\/j.bioorg.2026.110027_bb0320","doi-asserted-by":"crossref","first-page":"1545","DOI":"10.1002\/jcc.21287","article-title":"CHARMM: the biomolecular simulation program","volume":"30","author":"Brooks","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bioorg.2026.110027_bb0325","first-page":"235","article-title":"CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues","volume":"96","author":"Jo","year":"2014","journal-title":"Adv. Protein Chem."},{"issue":"11","key":"10.1016\/j.bioorg.2026.110027_bb0330","doi-asserted-by":"crossref","first-page":"1233","DOI":"10.1080\/17460441.2021.1942836","article-title":"What is the current value of MM\/PBSA and MM\/GBSA methods in drug discovery?","volume":"16","author":"Tuccinardi","year":"2021","journal-title":"Expert Opin. Drug Discov."},{"issue":"10","key":"10.1016\/j.bioorg.2026.110027_bb0335","doi-asserted-by":"crossref","first-page":"6281","DOI":"10.1021\/acs.jctc.1c00645","article-title":"Computation, gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS","volume":"17","author":"Vald\u00e9s-Tresanco","year":"2021","journal-title":"J. Chem. Theory"},{"issue":"4","key":"10.1016\/j.bioorg.2026.110027_bb0340","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1002\/prot.340170408","article-title":"Essential dynamics of proteins","volume":"17","author":"Amadei","year":"1993","journal-title":"Proteins"},{"key":"10.1016\/j.bioorg.2026.110027_bb0345","unstructured":"D.S. Biovia, Discovery Studio Modeling Environment, Release San Diego, CA, 2017."},{"issue":"3","key":"10.1016\/j.bioorg.2026.110027_bb0350","first-page":"589","article-title":"Feasibility of drug screening with panels of human tumor cell lines using a microculture tetrazolium assay","volume":"48","author":"Alley","year":"1988","journal-title":"Cancer Res."},{"issue":"1\u20132","key":"10.1016\/j.bioorg.2026.110027_bb0355","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1016\/0022-1759(94)90034-5","article-title":"A tetrazolium-based colorimetric MTT assay to quantitate human monocyte mediated cytotoxicity against leukemic cells from cell lines and patients with acute myeloid leukemia","volume":"174","author":"Van de Loosdrecht","year":"1994","journal-title":"J. Immunol. Methods"},{"issue":"9","key":"10.1016\/j.bioorg.2026.110027_bb0360","doi-asserted-by":"crossref","DOI":"10.1002\/ardp.202300097","article-title":"Novel promising benzoxazole\/benzothiazole-derived immunomodulatory agents: design, synthesis, anticancer evaluation, and in silico ADMET analysis","volume":"356","author":"Elkady","year":"2023","journal-title":"Arch. Pharm."},{"issue":"16","key":"10.1016\/j.bioorg.2026.110027_bb0365","doi-asserted-by":"crossref","first-page":"10488","DOI":"10.1039\/D3RA00066D","article-title":"Design, synthesis, anticancer evaluation, and in silico ADMET analysis of novel thalidomide analogs as promising immunomodulatory agents","volume":"13","author":"Kotb","year":"2023","journal-title":"RSC Adv."},{"issue":"24","key":"10.1016\/j.bioorg.2026.110027_bb0370","doi-asserted-by":"crossref","first-page":"15106","DOI":"10.1080\/07391102.2023.2187217","article-title":"Design, synthesis, anticancer evaluation, in silico docking and ADMET analysis of novel indole-based thalidomide analogs as promising immunomodulatory agents","volume":"41","author":"El-Zahabi","year":"2023","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.bioorg.2026.110027_bb0375","first-page":"1","article-title":"Design and synthesis of novel indolinone Aurora B kinase inhibitors based on fragment-based drug discovery (FBDD)","author":"Xie","year":"2025","journal-title":"Mol. Divers."},{"key":"10.1016\/j.bioorg.2026.110027_bb0380","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/S0037-1963(01)90051-4","article-title":"Flow cytometry in analysis of cell cycle and apoptosis","author":"Darzynkiewicz","year":"2001","journal-title":"Semin. Hematol."},{"key":"10.1016\/j.bioorg.2026.110027_bb0385","first-page":"1","article-title":"Integrated computational and biological evaluations of newly synthesized thiadiazole-based VEGFR-2 inhibitors with targeted anti-breast cancer activity","author":"Alsfouk","year":"2025","journal-title":"Naunyn Schmiedeberg's Arch. Pharmacol."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206826005638?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206826005638?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,7,4]],"date-time":"2026-07-04T14:32:13Z","timestamp":1783175533000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206826005638"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9]]},"references-count":77,"alternative-id":["S0045206826005638"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2026.110027","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2026,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"New N-(isoxazol-3-yl)-4-(1,3,4-thiadiazol-3(2H)-yl)benzenesulfonamide derivatives as potent Aurora kinases inhibitors: Design, synthesis and anti-proliferative activity","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2026.110027","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"110027"}}