{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,5]],"date-time":"2026-11-05T02:31:00Z","timestamp":1793845860978,"version":"4.6.1"},"reference-count":66,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2025,10]]},"DOI":"10.1016\/j.bioorg.2025.109003","type":"journal-article","created":{"date-parts":[[2025,9,16]],"date-time":"2025-09-16T21:06:34Z","timestamp":1758056794000},"page":"109003","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":4,"special_numbering":"C","title":["Design and synthesis of new Thieno[2,3-d]pyrimidine-based derivatives as anti-breast cancer: Biological evaluation, PIM-1 kinase inhibition, and in silico studies"],"prefix":"10.1016","volume":"165","author":[{"given":"Menna Tallah M.","family":"Sayed","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zeinab","family":"Mahmoud","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Makarem M.","family":"Said","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amr M.","family":"Abdou","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rasha A.","family":"Hassan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bioorg.2025.109003_bb0005","doi-asserted-by":"crossref","first-page":"478","DOI":"10.1016\/j.ebiom.2015.05.022","article-title":"Is Cancer a genetic disease or a metabolic disease?","volume":"2","author":"Wishart","year":"2015","journal-title":"EBioMedicine"},{"key":"10.1016\/j.bioorg.2025.109003_bb0010","article-title":"Variation in effects of Non-Hodgkin lymphoma risk factors according to the human leukocyte antigen (HLA)-DRB1*01:01 allele and ancestral haplotype 8.1","volume":"6","author":"Wang","year":"2011","journal-title":"PLoS One"},{"key":"10.1016\/j.bioorg.2025.109003_bb0015","doi-asserted-by":"crossref","first-page":"2062","DOI":"10.1100\/2011\/373876","article-title":"Human leukocyte antigen class i and II alleles and overall survival in diffuse large B-cell lymphoma and follicular lymphoma","volume":"11","author":"Lu","year":"2011","journal-title":"Sci. World J."},{"key":"10.1016\/j.bioorg.2025.109003_bb0020","doi-asserted-by":"crossref","first-page":"10","DOI":"10.3322\/caac.21871","article-title":"Cancer statistics, 2025, CA","volume":"75","author":"Siegel","year":"2025","journal-title":"Cancer J. Clin."},{"key":"10.1016\/j.bioorg.2025.109003_bb0025","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"},{"key":"10.1016\/j.bioorg.2025.109003_bb0030","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1158\/1055-9965.EPI-16-0858","article-title":"Global cancer in women: burden and trends","volume":"26","author":"Torre","year":"2017","journal-title":"Cancer Epidemiol. Biomarkers Prev."},{"key":"10.1016\/j.bioorg.2025.109003_bb0035","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1016\/j.mce.2012.10.028","article-title":"Proto-oncogene PIM-1 is a novel estrogen receptor target associating with high grade breast tumors","volume":"365","author":"Malinen","year":"2013","journal-title":"Mol. Cell. Endocrinol."},{"key":"10.1016\/j.bioorg.2025.109003_bb0040","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202403071","article-title":"Pyrazolopyrimidines\u00a0: a promising frontier in Cancer treatment-reviewing their potential as inhibitors of serine \/ threonine kinases","volume":"22","author":"Abdelhamed","year":"2025","journal-title":"Chem. Biodivers."},{"key":"10.1016\/j.bioorg.2025.109003_bb0045","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1016\/j.ejmech.2019.03.050","article-title":"PIM kinase inhibitors: structural and pharmacological perspectives","volume":"172","author":"Asati","year":"2019","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0050","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1016\/j.biocel.2017.10.016","article-title":"PIM kinases: from survival factors to regulators of cell motility","volume":"93","author":"Santio","year":"2017","journal-title":"Int. J. Biochem. Cell Biol."},{"key":"10.1016\/j.bioorg.2025.109003_bb0055","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2023.116016","article-title":"Bo Liu, targeting PIM kinases in cancer therapy: An update on pharmacological small-molecule inhibitors","volume":"264","author":"Chen","year":"2024","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0060","doi-asserted-by":"crossref","DOI":"10.1016\/j.lfs.2020.117866","article-title":"A serine\/threonine protein PIM kinase as a biomarker of cancer and a target for anti-tumor therapy","volume":"255","author":"Panchal","year":"2020","journal-title":"Life Sci."},{"key":"10.1016\/j.bioorg.2025.109003_bb0065","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2023.115220","article-title":"Discovery of PIM-1 kinase inhibitors based on the 2,5-disubstituted 1,3,4-oxadiazole scaffold against prostate cancer: design, synthesis, in vitro and in vivo cytotoxicity investigation","volume":"250","author":"Castanet","year":"2023","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0070","doi-asserted-by":"crossref","first-page":"30346","DOI":"10.1039\/D4RA04036H","article-title":"Design, synthesis, biological evaluation, and docking studies of novel triazolo[4,3-b]pyridazine derivatives as dual c-met\/Pim-1 potential inhibitors with antitumor activity","volume":"14","author":"Mahmoud","year":"2024","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.109003_bb0075","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2022.106122","article-title":"Development of novel cyanopyridines as PIM-1 kinase inhibitors with potent anti-prostate cancer activity: synthesis, biological evaluation, nanoparticles formulation and molecular dynamics simulation","volume":"129","author":"Ibrahim","year":"2022","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0080","doi-asserted-by":"crossref","first-page":"1100","DOI":"10.2174\/0113816128346900241111115125","article-title":"Pyrimidine: a privileged scaffold for the development of anticancer agents as protein kinase inhibitors (recent update)","volume":"31","author":"Zeid","year":"2025","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.bioorg.2025.109003_bb0085","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1016\/j.neo.2014.05.004","article-title":"A small-molecule inhibitor of PIM kinases as a potential treatment for urothelial carcinomas","volume":"16","author":"Foulks","year":"2014","journal-title":"Neoplasia (United States)"},{"key":"10.1016\/j.bioorg.2025.109003_bb0090","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1038\/s41392-020-0109-y","article-title":"PIM kinase inhibition: co-targeted therapeutic approaches in prostate cancer","volume":"5","author":"Luszczak","year":"2020","journal-title":"Signal Transduct. Target. Ther."},{"key":"10.1016\/j.bioorg.2025.109003_bb0095","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2021.672536","article-title":"Novel Pan-Pim kinase inhibitors with imidazopyridazine and thiazolidinedione structure exert potent antitumor activities","volume":"12","author":"Sawaguchi","year":"2021","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.bioorg.2025.109003_bb0100","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1182\/blood-2013-04-495366","article-title":"AZD1208, a potent and selective pan-Pim kinase inhibitor, demonstrates efficacy in preclinical models of acute myeloid leukemia","volume":"123","author":"Keeton","year":"2014","journal-title":"Blood"},{"key":"10.1016\/j.bioorg.2025.109003_bb0105","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/j.ejmech.2016.07.035","article-title":"Computer-aided identification, synthesis and evaluation of substituted thienopyrimidines as novel inhibitors of HCV replication","volume":"123","author":"Bassetto","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0110","doi-asserted-by":"crossref","first-page":"1707","DOI":"10.1134\/S1070363219080267","article-title":"Synthesis and antiviral activity of novel thieno[2,3-d]pyrimidine hydrazones and their C-nucleosides","volume":"89","author":"Khattab","year":"2019","journal-title":"Russ. J. Gen. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0115","doi-asserted-by":"crossref","first-page":"90371","DOI":"10.1039\/C6RA15181G","article-title":"Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies","volume":"6","author":"Leeza Zaidi","year":"2016","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.109003_bb0120","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2021.130168","article-title":"Structure based design, synthesis and evaluation of new thienopyrimidine derivatives as anti-bacterial agents","volume":"1234","author":"Malasala","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2025.109003_bb0125","doi-asserted-by":"crossref","first-page":"3079","DOI":"10.1080\/10406638.2020.1852587","article-title":"Synthesis, characterization, and antimicrobial activity of new Thienopyrimidine derivatives","volume":"42","author":"Ahmed","year":"2022","journal-title":"Polycycl. Aromat. Compd."},{"key":"10.1016\/j.bioorg.2025.109003_bb0130","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2025.108549","article-title":"Synthesis and evaluation of antibacterial activity of new thieno[2,3-d]pyrimidine hybrid compounds targeting dihydropteroate synthase to combat antibiotic resistance","volume":"161","author":"Hassan","year":"2025","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0135","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1016\/j.bioorg.2019.02.036","article-title":"Pyrazoles containing thiophene, thienopyrimidine and thienotriazolopyrimidine as COX-2 selective inhibitors: design, synthesis, in vivo anti-inflammatory activity, docking and in silico chemo-informatic studies","volume":"85","author":"El-Shoukrofy","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0140","doi-asserted-by":"crossref","first-page":"1299","DOI":"10.1002\/ddr.22088","article-title":"Design, synthesis, anticancer evaluation, and in silico studies of some thieno[2,3-d]pyrimidine derivatives as EGFR inhibitors","volume":"84","author":"Sayed","year":"2023","journal-title":"Drug Dev. Res."},{"key":"10.1016\/j.bioorg.2025.109003_bb0145","doi-asserted-by":"crossref","DOI":"10.1002\/ddr.70007","article-title":"New S-substituted-3-phenyltetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one scaffold with promising anticancer activity profile through the regulation and inhibition of mutated B-RAF signaling pathway","volume":"85","author":"Seif","year":"2024","journal-title":"Drug Dev. Res."},{"key":"10.1016\/j.bioorg.2025.109003_bb0150","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2022.105861","article-title":"Novel antiproliferative agents bearing substituted thieno[2,3-d]pyrimidine scaffold as dual VEGFR-2 and BRAF kinases inhibitors and apoptosis inducers\u00a0; design, synthesis and molecular docking","volume":"125","author":"Hassan","year":"2022","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0155","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1002\/ddr.22058","article-title":"Design and synthesis of novel hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives as potential anticancer agents with antiangiogenic activity via VEGFR-2 inhibition, and down-regulation of PI3K\/AKT\/mTOR signaling pathway","volume":"84","author":"Seif","year":"2023","journal-title":"Drug Dev. Res."},{"key":"10.1016\/j.bioorg.2025.109003_bb0160","article-title":"Thieno[2,3-d]pyrimidine derivatives as topoisomerase II inhibitors: design, synthesis, anticancer evaluation, and in silico studies","volume":"164","author":"Hassan","year":"2025","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0165","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2024.107985","article-title":"Advances in structural identification of some thieno[2,3-d]pyrimidine scaffolds as antitumor molecules: synthetic approaches and control programmed cancer cell death potential","volume":"154","author":"Mghwary","year":"2025","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0170","doi-asserted-by":"crossref","first-page":"6621","DOI":"10.1021\/jm900943h","article-title":"Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as potent, highly selective, and orally bioavailable inhibitors of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM) kinases","volume":"52","author":"Tao","year":"2009","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0175","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1080\/14756366.2016.1261130","article-title":"Synthesis of new pyridothienopyrimidinone derivatives as Pim-1 inhibitors","volume":"32","author":"Naguib","year":"2017","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0180","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1002\/ddr.22037","article-title":"Coumarin derivatives with potential anticancer and antibacterial activity: design, synthesis, VEGFR-2 and DNA gyrase inhibition, and in silico studies","volume":"84","author":"Emam","year":"2023","journal-title":"Drug Dev. Res."},{"key":"10.1016\/j.bioorg.2025.109003_bb0185","doi-asserted-by":"crossref","first-page":"2640","DOI":"10.1039\/D3MD00476G","article-title":"Novel pyrazolo[3,4-d]pyrimidine derivatives: design, synthesis, anticancer evaluation, VEGFR-2 inhibition, and antiangiogenic activity","volume":"14","author":"Abdelhamed","year":"2023","journal-title":"RSC Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0190","doi-asserted-by":"crossref","first-page":"888","DOI":"10.1002\/ddr.22060","article-title":"Design, synthesis, anticancer, and antibacterial evaluation of some quinazolinone-based derivatives as DHFR inhibitors","volume":"84","author":"Osman","year":"2023","journal-title":"Drug Dev. Res."},{"key":"10.1016\/j.bioorg.2025.109003_bb0195","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202400077","article-title":"Design, synthesis, and molecular docking of novel miscellaneous Chalcones as p38\u03b1 mitogen-activated protein kinase inhibitors","volume":"21","author":"Zeid","year":"2024","journal-title":"Chem. Biodivers."},{"key":"10.1016\/j.bioorg.2025.109003_bb0200","doi-asserted-by":"crossref","first-page":"4111","DOI":"10.1039\/D4MD00462K","article-title":"Design, synthesis, and biological evaluation of novel thiazole derivatives as PI3K\/mTOR dual inhibitors","volume":"15","author":"Faggal","year":"2024","journal-title":"RSC Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0205","doi-asserted-by":"crossref","first-page":"3714","DOI":"10.1039\/D5MD00139K","article-title":"Novel furo[2,3-d]pyrimidine derivatives as PI3K\/AKT dual inhibitors: design, synthesis, biological evaluation, and molecular dynamics simulation","volume":"16","author":"Reheim","year":"2025","journal-title":"RSC Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0210","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmc.2025.118286","article-title":"Design, synthesis, and anticancer evaluation of new pyrazolo[3,4-d]pyrimidine-based derivatives: CDK2 inhibition, apoptosis-inducing activity, molecular modelling studies","volume":"128","author":"Hassan","year":"2025","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0215","first-page":"1219","article-title":"Thiazolation of phenylthiosemicarbazone to access new thiazoles\u00a0: anticancer activity and molecular docking, future","volume":"16","author":"Elgammal","year":"2024","journal-title":"Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0220","article-title":"Design, synthesis, and anticancer evaluation of new Quinazoline hybrids: DNA intercalation, topoisomerase II\u03b1 inhibition, and in silico studies","volume":"164","author":"Hassan","year":"2025","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0225","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2019.103189","article-title":"Dual VEGFR-2\/PIM-1 kinase inhibition towards surmounting the resistance to antiangiogenic agents via hybrid pyridine and thienopyridine-based scaffolds: design, synthesis and biological evaluation","volume":"92","author":"Rizk","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0230","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2020.103944","article-title":"New pyrazolopyrimidine derivatives with anticancer activity: design, synthesis, PIM-1 inhibition, molecular docking study and molecular dynamics","volume":"100","author":"Philoppes","year":"2020","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0235","doi-asserted-by":"crossref","first-page":"39381","DOI":"10.1039\/D4RA07963A","article-title":"Synthesis of novel pyridine and pyrazolyl pyridine conjugates with potent cytotoxicity against HepG2 cancer cells as PIM-1 kinase inhibitors and caspase activators","volume":"14","author":"Nafie","year":"2024","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.109003_bb0240","doi-asserted-by":"crossref","first-page":"3932","DOI":"10.3390\/molecules15063932","article-title":"Synthesis, characterization and biological studies of some novel thieno[2,3-d]pyrimidines","volume":"15","author":"Al-Taisan","year":"2010","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2025.109003_bb0245","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1007\/7651_2019_259","article-title":"Scratch wound healing assay","volume":"2109","author":"Martinotti","year":"2020","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.bioorg.2025.109003_bb0250","doi-asserted-by":"crossref","first-page":"362","DOI":"10.1111\/febs.13898","article-title":"Cell cycle proliferation decisions: the impact of single cell analyses","volume":"284","author":"Matson","year":"2017","journal-title":"FEBS J."},{"key":"10.1016\/j.bioorg.2025.109003_bb0255","doi-asserted-by":"crossref","DOI":"10.1016\/j.drup.2020.100712","article-title":"Inhibiting the inhibitors: targeting anti-apoptotic proteins in cancer and therapy resistance","volume":"52","author":"Shahar","year":"2020","journal-title":"Drug Resist. Updat."},{"key":"10.1016\/j.bioorg.2025.109003_bb0260","doi-asserted-by":"crossref","DOI":"10.3389\/fonc.2022.869672","article-title":"Bax\/Bcl-2 cascade is regulated by the EGFR pathway: therapeutic targeting of non-small cell lung cancer","volume":"12","author":"Alam","year":"2022","journal-title":"Front. Oncol."},{"key":"10.1016\/j.bioorg.2025.109003_bb0265","doi-asserted-by":"crossref","DOI":"10.1038\/cddis.2017.465","article-title":"RTN1-C mediates cerebral ischemia\/reperfusion injury via ER stress and mitochondria-associated apoptosis pathways","volume":"8","author":"Gong","year":"2017","journal-title":"Cell Death Dis."},{"key":"10.1016\/j.bioorg.2025.109003_bb0270","doi-asserted-by":"crossref","DOI":"10.1038\/srep42717","article-title":"SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci. Rep."},{"key":"10.1016\/j.bioorg.2025.109003_bb0275","doi-asserted-by":"crossref","first-page":"1117","DOI":"10.1002\/cmdc.201600182","article-title":"A BOILED-egg to predict gastrointestinal absorption and brain penetration of small molecules","volume":"11","author":"Daina","year":"2016","journal-title":"ChemMedChem Commun."},{"key":"10.1016\/j.bioorg.2025.109003_bb0280","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"23","author":"Lipinski","year":"1997","journal-title":"Adv. Drug Deliv. Rev."},{"key":"10.1016\/j.bioorg.2025.109003_bb0285","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","article-title":"Molecular properties that influence the oral bioavailability of drug candidates","volume":"45","author":"Veber","year":"2002","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0290","doi-asserted-by":"crossref","first-page":"3867","DOI":"10.1021\/jm000292e","article-title":"Prediction of drug absorption using multivariate statistics","volume":"43","author":"Egan","year":"2000","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0295","doi-asserted-by":"crossref","first-page":"1841","DOI":"10.1021\/jm015507e","article-title":"Simple selection criteria for drug-like chemical matter","volume":"44","author":"Muegge","year":"2001","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0300","doi-asserted-by":"crossref","DOI":"10.3791\/50767-v","article-title":"Anticancer metal complexes: synthesis and cytotoxicity evaluation by the MTT assay","author":"Ganot","year":"2013","journal-title":"J. Vis. Exp."},{"key":"10.1016\/j.bioorg.2025.109003_bb0305","doi-asserted-by":"crossref","first-page":"766","DOI":"10.1083\/jcb.59.3.766","article-title":"Rapid, simultaneous measurement of DNA, protein, and cell volume in single cells from large mammalian cell populations","volume":"59","author":"Crissman","year":"1973","journal-title":"J. Cell Biol."},{"key":"10.1016\/j.bioorg.2025.109003_bb0310","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1002\/cyto.990140502","article-title":"DNA cytometry consensus conference","volume":"14","author":"Hedley","year":"1993","journal-title":"Cytometry"},{"key":"10.1016\/j.bioorg.2025.109003_bb0315","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."},{"key":"10.1016\/j.bioorg.2025.109003_bb0320","doi-asserted-by":"crossref","first-page":"175a","DOI":"10.1016\/j.bpj.2016.11.971","article-title":"CHARMM36: An improved force field for folded and intrinsically disordered proteins","volume":"112","author":"Huang","year":"2017","journal-title":"Biophys. J."},{"key":"10.1016\/j.bioorg.2025.109003_bb0325","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bioorg.2025.109003_bb0330","doi-asserted-by":"crossref","first-page":"W513","DOI":"10.1093\/nar\/gkae303","article-title":"ProTox 3.0: a webserver for the prediction of toxicity of chemicals","volume":"52","author":"Banerjee","year":"2024","journal-title":"Nucleic Acids Res."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206825008831?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206825008831?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,15]],"date-time":"2025-10-15T20:30:56Z","timestamp":1760560256000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206825008831"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,10]]},"references-count":66,"alternative-id":["S0045206825008831"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.109003","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2025,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Design and synthesis of new Thieno[2,3-d]pyrimidine-based derivatives as anti-breast cancer: Biological evaluation, PIM-1 kinase inhibition, and in silico studies","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.109003","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109003"}}