{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T21:57:00Z","timestamp":1792101420119,"version":"4.4.0"},"reference-count":101,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"publisher","award":["2432012330"],"award-info":[{"award-number":["2432012330"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100009232","name":"Debreceni Egyetem","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100009232","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004612","name":"Funda\u00e7\u00e3o Arauc\u00e1ria","doi-asserted-by":"publisher","award":["SUS2020131000003"],"award-info":[{"award-number":["SUS2020131000003"]}],"id":[{"id":"10.13039\/501100004612","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004612","name":"Funda\u00e7\u00e3o Arauc\u00e1ria","doi-asserted-by":"publisher","award":["2020\/2021"],"award-info":[{"award-number":["2020\/2021"]}],"id":[{"id":"10.13039\/501100004612","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["404286\/2021-6"],"award-info":[{"award-number":["404286\/2021-6"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100009139","name":"Deutsches Zentrum f\u00fcr Infektionsforschung","doi-asserted-by":"publisher","award":["TTU06.716"],"award-info":[{"award-number":["TTU06.716"]}],"id":[{"id":"10.13039\/100009139","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["European Journal of Medicinal Chemistry"],"published-print":{"date-parts":[[2025,12]]},"DOI":"10.1016\/j.ejmech.2025.118077","type":"journal-article","created":{"date-parts":[[2025,8,21]],"date-time":"2025-08-21T20:38:14Z","timestamp":1755808694000},"page":"118077","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":2,"special_numbering":"C","title":["New players from the old chalcone scaffold: Synthesis, identification, and characterization of new potent ABCG2 inhibitors"],"prefix":"10.1016","volume":"299","author":[{"given":"Bruna Estelita","family":"Ruginsk","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ingrid Fatima","family":"Zattoni","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Arthur Henrique","family":"Gomes De Oliveira","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Isadora da Silva","family":"Zanzarini","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fabiane Gomes","family":"de Moraes Rego","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Geraldo","family":"Picheth","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antti","family":"Poso","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thales","family":"Kronenberger","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Katalin","family":"Goda","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vivian Rotuno","family":"Moure","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahc\u00e8ne","family":"Boumendjel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1882-1512","authenticated-orcid":false,"given":"Glaucio","family":"Valdameri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.ejmech.2025.118077_bib1","first-page":"1","article-title":"Global cancer statistics 2022: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries","author":"Bray","year":"2024","journal-title":"CA Cancer J. Clin."},{"key":"10.1016\/j.ejmech.2025.118077_bib2","doi-asserted-by":"crossref","DOI":"10.3390\/ijms21093233","article-title":"Mechanisms of multidrug resistance in cancer chemotherapy","volume":"21","author":"Bukowski","year":"2020","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.ejmech.2025.118077_bib3","doi-asserted-by":"crossref","first-page":"762","DOI":"10.1038\/s41568-023-00612-3","article-title":"Advances in the structure, mechanism and targeting of chemoresistance-linked ABC transporters","volume":"23","author":"Sajid","year":"2023","journal-title":"Nat. Rev. Cancer"},{"key":"10.1016\/j.ejmech.2025.118077_bib4","doi-asserted-by":"crossref","first-page":"1162","DOI":"10.1002\/humu.24418","article-title":"The human ATP-binding cassette (ABC) transporter superfamily","volume":"43","author":"Dean","year":"2022","journal-title":"Hum. Mutat."},{"key":"10.1016\/j.ejmech.2025.118077_bib5","first-page":"141","article-title":"Drug resistance and combating drug resistance in cancer","volume":"2","author":"Wang","year":"2019","journal-title":"Cancer Drug Resist"},{"key":"10.1016\/j.ejmech.2025.118077_bib6","article-title":"The association of ABC proteins with multidrug resistance in cancer","volume":"1872","author":"Marques","year":"2025","journal-title":"Biochim. Biophys. Acta BBA - Mol. Cell Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib7","doi-asserted-by":"crossref","first-page":"452","DOI":"10.1038\/s41568-018-0005-8","article-title":"Revisiting the role of ABC transporters in multidrug-resistant cancer","volume":"18","author":"Robey","year":"2018","journal-title":"Nat. Rev. Cancer"},{"key":"10.1016\/j.ejmech.2025.118077_bib8","first-page":"5337","article-title":"A human placenta-specific ATP-binding cassette gene (ABCP) on chromosome 4q22 that is involved in multidrug resistance","volume":"58","author":"Allikmets","year":"1998","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib9","doi-asserted-by":"crossref","first-page":"15665","DOI":"10.1073\/pnas.95.26.15665","article-title":"A multidrug resistance transporter from human MCF-7 breast cancer cells","volume":"95","author":"Doyle","year":"1998","journal-title":"Proc. Natl. Acad. Sci."},{"key":"10.1016\/j.ejmech.2025.118077_bib10","first-page":"8","article-title":"Molecular cloning of cDNAs which are highly overexpressed in mitoxantrone-resistant cells: demonstration of homology to ABC transport genes","volume":"59","author":"Miyake","year":"1999","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib11","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1038\/nrd1984","article-title":"Targeting multidrug resistance in cancer","volume":"5","author":"Szak\u00e1cs","year":"2006","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.ejmech.2025.118077_bib12","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2022.114346","article-title":"Targeting breast cancer resistance protein (BCRP\/ABCG2): functional inhibitors and expression modulators","volume":"237","author":"Zattoni","year":"2022","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib13","doi-asserted-by":"crossref","first-page":"3212","DOI":"10.1182\/blood.V98.12.3212","article-title":"Benefit of cyclosporine modulation of drug resistance in patients with poor-risk acute myeloid leukemia: a Southwest Oncology Group study","volume":"98","author":"List","year":"2001","journal-title":"Blood"},{"key":"10.1016\/j.ejmech.2025.118077_bib14","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1042\/bse0500209","article-title":"The controversial role of ABC transporters in clinical oncology","volume":"50","author":"Ierano","year":"2011","journal-title":"Essays Biochem."},{"key":"10.1016\/j.ejmech.2025.118077_bib15","first-page":"585","article-title":"Reversal of a novel multidrug resistance mechanism in human Colon carcinoma cells by fumitremorgin C","volume":"58","author":"Rabindran","year":"1998","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib16","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1016\/S0021-5198(19)42469-4","article-title":"Central effects of the neurotropic mycotoxin fumitremorgin A in the rabbit (I) effects on the spinal cord","volume":"50","author":"Nishiyama","year":"1989","journal-title":"Jpn. J. Pharmacol."},{"issue":"6","key":"10.1016\/j.ejmech.2025.118077_bib17","first-page":"417","article-title":"Potent and specific inhibition of the breast cancer resistance protein multidrug transporter in vitro and in mouse intestine by a novel analogue of fumitremorgin C","volume":"1","author":"Allen","year":"2002","journal-title":"Mol. Cancer Ther."},{"key":"10.1016\/j.ejmech.2025.118077_bib18","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1016\/j.dmpk.2017.02.003","article-title":"Metabolism of KO143, an ABCG2 inhibitor","volume":"32","author":"Liu","year":"2017","journal-title":"Drug Metabol. Pharmacokinet."},{"key":"10.1016\/j.ejmech.2025.118077_bib19","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1021\/jm500943z","article-title":"Converting potent Indeno[1,2-b]indole inhibitors of protein kinase CK2 into selective inhibitors of the breast cancer resistance protein ABCG2","volume":"58","author":"Jabor Gozzi","year":"2015","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib20","doi-asserted-by":"crossref","first-page":"1177","DOI":"10.1002\/cmdc.201200154","article-title":"6\u2010Halogenochromones bearing tryptamine: one-step access to potent and highly selective inhibitors of breast cancer resistance protein","volume":"7","author":"Valdameri","year":"2012","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2025.118077_bib21","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1016\/j.bmc.2007.10.006","article-title":"Functionalized chalcones as selective inhibitors of P-glycoprotein and breast cancer resistance protein","volume":"16","author":"Liu","year":"2008","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib22","doi-asserted-by":"crossref","first-page":"27769","DOI":"10.1021\/acsomega.2c01779","article-title":"Synthesis of chalcones derivatives and their biological activities: a review","volume":"7","author":"Elkanzi","year":"2022","journal-title":"ACS Omega"},{"key":"10.1016\/j.ejmech.2025.118077_bib23","doi-asserted-by":"crossref","first-page":"4161","DOI":"10.1021\/jm9810194","article-title":"Halogenated chalcones with high-affinity binding to P-Glycoprotein: potential modulators of multidrug resistance","volume":"41","author":"Bois","year":"1998","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib24","doi-asserted-by":"crossref","first-page":"2691","DOI":"10.1016\/S0968-0896(99)00218-7","article-title":"Synthesis and biological activity of 4-alkoxy chalcones: potential hydrophobic modulators of p-glycoprotein-mediated multidrug resistance","volume":"7","author":"Bois","year":"1999","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib25","doi-asserted-by":"crossref","first-page":"3387","DOI":"10.2174\/092986711796504736","article-title":"Targeting the multidrug ABCG2 transporter with flavonoidic inhibitors: in vitro optimization and in vivo validation","volume":"18","author":"Boumendjel","year":"2011","journal-title":"Curr. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib26","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1016\/j.ejps.2008.06.001","article-title":"Modulation of breast cancer resistance protein (BCRP\/ABCG2) by non-basic chalcone analogues","volume":"35","author":"Han","year":"2008","journal-title":"Eur. J. Pharmaceut. Sci."},{"key":"10.1016\/j.ejmech.2025.118077_bib27","doi-asserted-by":"crossref","first-page":"3193","DOI":"10.1021\/jm2016528","article-title":"Investigation of chalcones as selective inhibitors of the breast cancer resistance protein: critical role of methoxylation in both inhibition potency and cytotoxicity","volume":"55","author":"Valdameri","year":"2012","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib28","doi-asserted-by":"crossref","first-page":"987","DOI":"10.1002\/med.21428","article-title":"ABCG2\/BCRP: specific and nonspecific modulators","volume":"37","author":"Pe\u00f1a\u2010Sol\u00f3rzano","year":"2017","journal-title":"Med. Res. Rev."},{"key":"10.1016\/j.ejmech.2025.118077_bib29","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1186\/1471-2407-9-242","article-title":"A novel chalcone derivative which acts as a microtubule depolymerising agent and an inhibitor of P-gp and BCRP in in-vitro and in-vivoglioblastoma models","volume":"9","author":"Boumendjel","year":"2009","journal-title":"BMC Cancer"},{"key":"10.1016\/j.ejmech.2025.118077_bib30","doi-asserted-by":"crossref","first-page":"1461","DOI":"10.1021\/acs.jnatprod.9b01022","article-title":"Licochalcone A selectively resensitizes ABCG2-Overexpressing multidrug-resistant cancer cells to chemotherapeutic drugs","volume":"83","author":"Wu","year":"2020","journal-title":"J. Nat. Prod."},{"key":"10.1016\/j.ejmech.2025.118077_bib31","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/j.ejmech.2016.05.053","article-title":"New, highly potent and non-toxic, chromone inhibitors of the human breast cancer resistance protein ABCG2","volume":"122","author":"Pires","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib32","doi-asserted-by":"crossref","first-page":"1259","DOI":"10.3390\/pharmaceutics15041259","article-title":"Characterization of potent ABCG2 inhibitor derived from chromone: from the mechanism of inhibition to human extracellular vesicles for drug delivery","volume":"15","author":"Valdameri","year":"2023","journal-title":"Pharmaceutics"},{"key":"10.1016\/j.ejmech.2025.118077_bib33","doi-asserted-by":"crossref","first-page":"9849","DOI":"10.1021\/jm401649j","article-title":"Structure\u2013Activity relationships of chromone derivatives toward the mechanism of interaction with and inhibition of breast cancer resistance protein ABCG2","volume":"56","author":"Winter","year":"2013","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib34","first-page":"1155","article-title":"Structural and molecular characterization of lopinavir and ivermectin as breast cancer resistance protein (BCRP\/ABCG2) inhibitors","volume":"22","author":"Dutra","year":"2023","journal-title":"EXCLI J"},{"key":"10.1016\/j.ejmech.2025.118077_bib35","doi-asserted-by":"crossref","first-page":"4852","DOI":"10.1158\/0008-5472.CAN-04-1817","article-title":"Flavonoid structure-activity studies identify 6-Prenylchrysin and tectochrysin as potent and specific inhibitors of breast cancer resistance protein ABCG2","volume":"65","author":"Ahmed-Belkacem","year":"2005","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib36","first-page":"609","article-title":"Quinoxaline-substituted chalcones as new inhibitors of breast cancer resistance protein ABCG2: polyspecificity at B-ring position","volume":"8","author":"Winter","year":"2014","journal-title":"Drug Des. Dev. Ther."},{"key":"10.1016\/j.ejmech.2025.118077_bib37","doi-asserted-by":"crossref","first-page":"2892","DOI":"10.1016\/j.bmc.2007.02.017","article-title":"Acridone derivatives: design, synthesis, and inhibition of breast cancer resistance protein ABCG2","volume":"15","author":"Boumendjel","year":"2007","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib38","doi-asserted-by":"crossref","DOI":"10.1016\/j.cbi.2021.109718","article-title":"A new porphyrin as selective substrate-based inhibitor of breast cancer resistance protein (BCRP\/ABCG2)","volume":"351","author":"Zattoni","year":"2022","journal-title":"Chem. Biol. Interact."},{"key":"10.1016\/j.ejmech.2025.118077_bib39","doi-asserted-by":"crossref","first-page":"1816","DOI":"10.1007\/s11095-009-9896-0","article-title":"Identification of novel specific and general inhibitors of the three major human ATP-Binding cassette transporters P-gp, BCRP and MRP2 among registered drugs","volume":"26","author":"Matsson","year":"2009","journal-title":"Pharm. Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib40","doi-asserted-by":"crossref","first-page":"322","DOI":"10.1021\/cb200435y","article-title":"Methoxy stilbenes as potent, specific, untransported, and noncytotoxic inhibitors of breast cancer resistance protein","volume":"7","author":"Valdameri","year":"2012","journal-title":"ACS Chem. Biol."},{"key":"10.1016\/j.ejmech.2025.118077_bib41","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2024.107283","article-title":"Magnolol derivatives as specific and noncytotoxic inhibitors of breast cancer resistance protein (BCRP\/ABCG2)","volume":"146","author":"Da Silva Zanzarini","year":"2024","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib42","doi-asserted-by":"crossref","first-page":"1788","DOI":"10.1038\/s41598-020-79892-w","article-title":"Mechanistic basis of breast cancer resistance protein inhibition by new indeno[1,2-b]indoles","volume":"11","author":"Kita","year":"2021","journal-title":"Sci. Rep."},{"key":"10.1016\/j.ejmech.2025.118077_bib43","doi-asserted-by":"crossref","first-page":"2930","DOI":"10.1021\/jm401879z","article-title":"Symmetric bis-chalcones as a new type of breast cancer resistance protein inhibitors with a mechanism different from that of chromones","volume":"57","author":"Winter","year":"2014","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib44","doi-asserted-by":"crossref","first-page":"2547","DOI":"10.1002\/cmdc.201600455","article-title":"Optimization of acryloylphenylcarboxamides as inhibitors of ABCG2 and comparison with acryloylphenylcarboxylates","volume":"11","author":"Kraege","year":"2016","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2025.118077_bib45","doi-asserted-by":"crossref","DOI":"10.1002\/cmdc.202400712","article-title":"Effects of cholesterol on the breast cancer resistance protein: studies through the synthesis and biological evaluation of chemical tools","volume":"20","author":"Fatima Zattoni","year":"2025","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2025.118077_bib46","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-017-10972-0","article-title":"Novel quinolone chalcones targeting colchicine-binding pocket kill multidrug-resistant cancer cells by inhibiting tubulin activity and MRP1 function","volume":"7","author":"Lindamulage","year":"2017","journal-title":"Sci. Rep."},{"key":"10.1016\/j.ejmech.2025.118077_bib47","doi-asserted-by":"crossref","DOI":"10.1016\/j.bcp.2020.113848","article-title":"Biological evaluation of non-basic chalcone CYB-2 as a dual ABCG2\/ABCB1 inhibitor","volume":"175","author":"Cai","year":"2020","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.ejmech.2025.118077_bib48","doi-asserted-by":"crossref","first-page":"4219","DOI":"10.1074\/jbc.M411338200","article-title":"Function-dependent conformational changes of the ABCG2 multidrug transporter modify its interaction with a monoclonal antibody on the cell surface","volume":"280","author":"\u00d6zvegy-Laczka","year":"2005","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib49","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/j.ejps.2011.10.021","article-title":"Antibody binding shift assay for rapid screening of drug interactions with the human ABCG2 multidrug transporter","volume":"45","author":"Telbisz","year":"2012","journal-title":"Eur. J. Pharmaceut. Sci."},{"key":"10.1016\/j.ejmech.2025.118077_bib50","article-title":"New structure\u2013activity relationships of chalcone inhibitors of breast cancer resistance protein: polyspecificity toward inhibition and critical substitutions against cytotoxicity","volume":"1043","author":"Pereira","year":"2013","journal-title":"Drug Des. Dev. Ther."},{"key":"10.1016\/j.ejmech.2025.118077_bib51","doi-asserted-by":"crossref","first-page":"751","DOI":"10.1038\/nrd3801","article-title":"The determination and interpretation of the therapeutic index in drug development","volume":"11","author":"Muller","year":"2012","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.ejmech.2025.118077_bib52","doi-asserted-by":"crossref","first-page":"2422","DOI":"10.1002\/cmdc.201600341","article-title":"Acryloylphenylcarboxamides: a new class of breast cancer resistance protein (ABCG2) modulators","volume":"11","author":"Kraege","year":"2016","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2025.118077_bib53","doi-asserted-by":"crossref","first-page":"3481","DOI":"10.2147\/DDDT.S84982","article-title":"Phenolic indeno[1,2-b]indoles as ABCG2-selective potent and non-toxic inhibitors stimulating basal ATPase activity","author":"Di Pietro","year":"2015","journal-title":"Drug Des. Dev. Ther."},{"key":"10.1016\/j.ejmech.2025.118077_bib54","doi-asserted-by":"crossref","first-page":"5449","DOI":"10.1021\/acs.jmedchem.6b00330","article-title":"Synthesis and biological evaluation of 4-Anilino-quinazolines and -quinolines as inhibitors of breast cancer resistance protein (ABCG2)","volume":"59","author":"Krapf","year":"2016","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib55","doi-asserted-by":"crossref","first-page":"1995","DOI":"10.1158\/1535-7163.MCT-06-0087","article-title":"Modulation of the function of the multidrug resistance\u2013linked ATP-binding cassette transporter ABCG2 by the cancer chemopreventive agent curcumin","volume":"5","author":"Chearwae","year":"2006","journal-title":"Mol. Cancer Ther."},{"key":"10.1016\/j.ejmech.2025.118077_bib56","doi-asserted-by":"crossref","first-page":"2698","DOI":"10.1016\/j.bbamem.2007.06.026","article-title":"Membrane cholesterol selectively modulates the activity of the human ABCG2 multidrug transporter","volume":"1768","author":"Telbisz","year":"2007","journal-title":"Biochim. Biophys. Acta BBA - Biomembr."},{"key":"10.1016\/j.ejmech.2025.118077_bib57","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1124\/jpet.115.225482","article-title":"The inhibitor Ko143 is not specific for ABCG2","volume":"354","author":"Weidner","year":"2015","journal-title":"J. Pharmacol. Exp. Therapeut."},{"key":"10.1016\/j.ejmech.2025.118077_bib58","doi-asserted-by":"crossref","first-page":"16631","DOI":"10.1074\/jbc.273.27.16631","article-title":"Mechanism of action of human P-glycoprotein ATPase activity: PHOTOCHEMICAL cleavage during a catalytic transition state using orthovanadate reveals cross-talk between the two ATP sites","volume":"273","author":"Hrycyna","year":"1998","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib59","doi-asserted-by":"crossref","first-page":"26806","DOI":"10.1074\/jbc.M112.376202","article-title":"The ATPase activity of the P-glycoprotein drug pump is highly activated when the N-terminal and central regions of the nucleotide-binding domains are linked closely together","volume":"287","author":"Loo","year":"2012","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib60","doi-asserted-by":"crossref","first-page":"1085","DOI":"10.1124\/jpet.106.119289","article-title":"Cholesterol potentiates ABCG2 activity in a heterologous expression system: improved in vitro model to study function of human ABCG2","volume":"321","author":"P\u00e1l","year":"2007","journal-title":"J. Pharmacol. Exp. Therapeut."},{"key":"10.1016\/j.ejmech.2025.118077_bib61","doi-asserted-by":"crossref","first-page":"11971","DOI":"10.18632\/oncotarget.2647","article-title":"Afatinib circumvents multidrug resistance via dually inhibiting ATP binding cassette subfamily G member 2 in vitro and in vivo","volume":"5","author":"Wang","year":"2014","journal-title":"Oncotarget"},{"key":"10.1016\/j.ejmech.2025.118077_bib62","series-title":"Interaction of Nilotinib, Dasatinib and Bosutinib with ABCB1 and ABCG2: Implications for Altered Anti-cancer Effects and Pharmacological propertiesbph_3831153..1164","author":"Hegedu","year":"2009"},{"key":"10.1016\/j.ejmech.2025.118077_bib63","unstructured":"B.J. Orlando, M. Liao, ABCG2 Transports Anticancer Drugs via an Unexpected closed-to-open Switch, (n.d.)."},{"key":"10.1016\/j.ejmech.2025.118077_bib64","doi-asserted-by":"crossref","first-page":"1153","DOI":"10.1111\/j.1476-5381.2009.00383.x","article-title":"Interaction of nilotinib, dasatinib and bosutinib with ABCB1 and ABCG2: implications for altered anti-cancer effects and pharmacological propertiesb ph_383 1153..1164","volume":"158","author":"Hegedus","year":"2009","journal-title":"Br. J. Pharmacol."},{"key":"10.1016\/j.ejmech.2025.118077_bib65","doi-asserted-by":"crossref","first-page":"7905","DOI":"10.1158\/0008-5472.CAN-08-0499","article-title":"Lapatinib (Tykerb, GW572016) reverses multidrug resistance in cancer cells by inhibiting the activity of ATP-Binding cassette subfamily B member 1 and G member 2","volume":"68","author":"Dai","year":"2008","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib66","doi-asserted-by":"crossref","first-page":"836","DOI":"10.1124\/jpet.103.063149","article-title":"ABCG2 mediates differential resistance to SN-38 (7-Ethyl-10-hydroxycamptothecin) and homocamptothecins","volume":"310","author":"Bates","year":"2004","journal-title":"J. Pharmacol. Exp. Therapeut."},{"key":"10.1016\/j.ejmech.2025.118077_bib67","first-page":"4595","article-title":"In vitro and in vivo reversal of multidrug resistance by GF120918, an acridonecarboxamide derivative","volume":"53","author":"Hyafil","year":"1993","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib68","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1016\/j.drudis.2019.03.015","article-title":"ADMET modeling approaches in drug discovery","volume":"24","author":"Ferreira","year":"2019","journal-title":"Drug Discov. Today"},{"key":"10.1016\/j.ejmech.2025.118077_bib69","doi-asserted-by":"crossref","first-page":"863","DOI":"10.1517\/17460441.2012.714363","article-title":"The influence of lipophilicity in drug discovery and design","volume":"7","author":"Arnott","year":"2012","journal-title":"Expet Opin. Drug Discov."},{"key":"10.1016\/j.ejmech.2025.118077_bib70","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1517\/17460441003605098","article-title":"Lipophilicity in drug discovery","volume":"5","author":"Waring","year":"2010","journal-title":"Expet Opin. Drug Discov."},{"key":"10.1016\/j.ejmech.2025.118077_bib71","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2020.112958","article-title":"Water-soluble inhibitors of ABCG2 (BCRP) \u2013 a fragment-based and computational approach","volume":"210","author":"Antoni","year":"2021","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib72","doi-asserted-by":"crossref","first-page":"821","DOI":"10.2165\/00003088-200645080-00005","article-title":"Pharmacokinetics, pharmacodynamics and safety of febuxostat, a non-purine selective inhibitor of xanthine oxidase, in a dose escalation study in healthy subjects","volume":"45","author":"Khosravan","year":"2006","journal-title":"Clin. Pharmacokinet."},{"key":"10.1016\/j.ejmech.2025.118077_bib73","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/s40262-012-0018-5","article-title":"The clinical relevance of plasma protein binding changes","volume":"52","author":"Roberts","year":"2013","journal-title":"Clin. Pharmacokinet."},{"key":"10.1016\/j.ejmech.2025.118077_bib74","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/bs.pmch.2022.04.002","article-title":"The importance of plasma protein and tissue binding in a drug discovery program to successfully deliver a preclinical candidate","volume":"61","author":"Hann","year":"2022","journal-title":"Prog. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib75","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1021\/tx700079z","article-title":"Cytochrome P450 and chemical toxicology","volume":"21","author":"Guengerich","year":"2008","journal-title":"Chem. Res. Toxicol."},{"key":"10.1016\/j.ejmech.2025.118077_bib76","doi-asserted-by":"crossref","first-page":"1971","DOI":"10.1038\/sj.bjc.6601370","article-title":"Mutations at amino-acid 482 in the ABCG2 gene affect substrate and antagonist specificity","volume":"89","author":"Robey","year":"2003","journal-title":"Br. J. Cancer"},{"key":"10.1016\/j.ejmech.2025.118077_bib77","doi-asserted-by":"crossref","first-page":"25153","DOI":"10.1016\/S0021-9258(19)74018-6","article-title":"Identification of residues in the first cytoplasmic loop of P-glycoprotein involved in the function of chimeric human MDR1-MDR2 transporters","volume":"267","author":"Currier","year":"1992","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib78","doi-asserted-by":"crossref","first-page":"30962","DOI":"10.1074\/jbc.272.49.30962","article-title":"ATPase activity of purified multidrug resistance-associated protein","volume":"272","author":"Chang","year":"1997","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib79","first-page":"6011","article-title":"Growth of cell lines and clinical specimens of human non-small cell lung cancer in a serum-free defined medium","volume":"46","author":"Gazdar","year":"1986","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib80","doi-asserted-by":"crossref","first-page":"1242","DOI":"10.1158\/0008-5472.CAN-03-3298","article-title":"Pheophorbide a is a specific probe for ABCG2 function and inhibition","volume":"64","author":"Robey","year":"2004","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib81","doi-asserted-by":"crossref","first-page":"1770","DOI":"10.1158\/0008-5472.CAN-04-3303","article-title":"Multidrug transporter ABCG2 prevents tumor cell death induced by the epidermal growth factor receptor inhibitor iressa (ZD1839, gefitinib)","volume":"65","author":"Elkind","year":"2005","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib82","first-page":"3681","article-title":"Evaluation of tetrazolium-based semiautomatic colorimetric assay for measurement of human antitumor cytotoxicity","volume":"50","author":"Heo","year":"1990","journal-title":"Cancer Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib83","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/0005-2736(77)90373-X","article-title":"Transport parameters and stoichiometry of active calcium ion extrusion in intact human red cells","volume":"464","author":"Sarkadi","year":"1977","journal-title":"Biochim. Biophys. Acta BBA - Biomembr."},{"key":"10.1016\/j.ejmech.2025.118077_bib84","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1016\/S0021-9258(19)52451-6","article-title":"RoseJ. Randall, protein measurement with the folin phenol reagent","volume":"193","author":"Lowry","year":"1951","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib85","doi-asserted-by":"crossref","first-page":"4854","DOI":"10.1016\/S0021-9258(18)42909-2","article-title":"Expression of the human multidrug resistance cDNA in insect cells generates a high activity drug-stimulated membrane ATPase","volume":"267","author":"Sarkadi","year":"1992","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib86","doi-asserted-by":"crossref","first-page":"W5","DOI":"10.1093\/nar\/gkab255","article-title":"ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties","volume":"49","author":"Xiong","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib87","doi-asserted-by":"crossref","first-page":"D1373","DOI":"10.1093\/nar\/gkac956","article-title":"PubChem 2023 update","volume":"51","author":"Kim","year":"2023","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.ejmech.2025.118077_bib88","doi-asserted-by":"crossref","first-page":"2264","DOI":"10.1038\/s41467-020-16155-2","article-title":"ABCG2 transports anticancer drugs via a closed-to-open switch","volume":"11","author":"Orlando","year":"2020","journal-title":"Nat. Commun."},{"key":"10.1016\/j.ejmech.2025.118077_bib89","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1002\/prot.10613","article-title":"A hierarchical approach to all-atom protein loop prediction","volume":"55","author":"Jacobson","year":"2004","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"10.1016\/j.ejmech.2025.118077_bib90","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1007\/s10822-007-9133-z","article-title":"Epik: a software program for pKaprediction and protonation state generation for drug-like molecules","volume":"21","author":"Shelley","year":"2007","journal-title":"J. Comput. Aided Mol. Des."},{"key":"10.1016\/j.ejmech.2025.118077_bib91","doi-asserted-by":"crossref","first-page":"4291","DOI":"10.1021\/acs.jctc.1c00302","article-title":"OPLS4: improving force field accuracy on challenging regimes of chemical space","volume":"17","author":"Lu","year":"2021","journal-title":"J. Chem. Theor. Comput."},{"key":"10.1016\/j.ejmech.2025.118077_bib92","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy","volume":"47","author":"Friesner","year":"2004","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib93","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1021\/jm051256o","article-title":"Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein\u2212ligand complexes","volume":"49","author":"Friesner","year":"2006","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2025.118077_bib94","series-title":"Proc. 2006 ACMIEEE Conf. Supercomput.","first-page":"84","article-title":"Scalable algorithms for molecular dynamics simulations on commodity clusters","author":"Bowers","year":"2006"},{"key":"10.1016\/j.ejmech.2025.118077_bib95","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ejmech.2025.118077_bib96","doi-asserted-by":"crossref","first-page":"2686","DOI":"10.1002\/cmdc.202100188","article-title":"Tetrahydroquinoline\/4,5-Dihydroisoxazole molecular hybrids as inhibitors of breast cancer resistance protein (BCRP\/ABCG2)","volume":"16","author":"Vesga","year":"2021","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2025.118077_bib97","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh ewald: an N\u22c5log(N) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ejmech.2025.118077_bib98","doi-asserted-by":"crossref","first-page":"4193","DOI":"10.1021\/ja00119a045","article-title":"Molecular dynamics simulations on solvated biomolecular systems: the particle mesh Ewald Method leads to stable trajectories of DNA, RNA, and proteins","volume":"117","author":"Cheatham","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.ejmech.2025.118077_bib99","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","article-title":"Molecular dynamics with coupling to an external bath","volume":"81","author":"Berendsen","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ejmech.2025.118077_bib100","doi-asserted-by":"crossref","first-page":"2635","DOI":"10.1063\/1.463940","article-title":"Nos\u00e9\u2013Hoover chains: the canonical ensemble via continuous dynamics","volume":"97","author":"Martyna","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ejmech.2025.118077_bib101","doi-asserted-by":"crossref","first-page":"1117","DOI":"10.1080\/00268979600100761","article-title":"Explicit reversible integrators for extended systems dynamics","volume":"87","author":"Martyna","year":"1996","journal-title":"Mol. Phys."}],"container-title":["European Journal of Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523425008426?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523425008426?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T18:10:37Z","timestamp":1772820637000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0223523425008426"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,12]]},"references-count":101,"alternative-id":["S0223523425008426"],"URL":"https:\/\/doi.org\/10.1016\/j.ejmech.2025.118077","relation":{},"ISSN":["0223-5234"],"issn-type":[{"value":"0223-5234","type":"print"}],"subject":[],"published":{"date-parts":[[2025,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"New players from the old chalcone scaffold: Synthesis, identification, and characterization of new potent ABCG2 inhibitors","name":"articletitle","label":"Article Title"},{"value":"European Journal of Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ejmech.2025.118077","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Masson SAS. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"118077"}}