{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1363670319453798144.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.2174/1871520620666200824100408"}},{"identifier":{"@type":"URI","@value":"https://www.eurekaselect.com/article/download?doi=10.2174/1871520620666200824100408"}},{"identifier":{"@type":"URI","@value":"https://www.eurekaselect.com/185240/article"}},{"identifier":{"@type":"PMID","@value":"32838725"}}],"resourceType":"学術雑誌論文(journal article)","dc:title":[{"@value":"A New Series of Antileukemic Agents: Design, Synthesis, In Vitro and In Silico Evaluation of Thiazole-Based ABL1 Kinase Inhibitors"}],"description":[{"type":"abstract","notation":[{"@value":"<jats:sec>\n<jats:title>Background:</jats:title>\n<jats:p> After the milestone approval of imatinib, more than 25 antitumor agents targeting kinases have been approved,\nand several promising candidates are in various stages of clinical evaluation.</jats:p>\n</jats:sec>\n<jats:sec>\n<jats:title>Objectives :</jats:title>\n<jats:p>Due to the importance of thiazole scaffold in targeted anticancer drug discovery, the goal of this work is the design of new\nthiazolyl hydrazones as potent ABL1 kinase inhibitors for the management of chronic myeloid leukemia (CML).</jats:p>\n</jats:sec>\n<jats:sec>\n<jats:title>Methods:</jats:title>\n<jats:p>New thiazolyl hydrazones (2a-p) were synthesized and investigated for their cytotoxic effects on K562 CML cell line.\nCompounds 2h, 2j and 2l showed potent anticancer activity against K562 cell line. The cytotoxic effects of these compounds on other\nleukemia (HL-60, MT-2 and Jurkat) and HeLa human cervical carcinoma cell lines were also investigated. Furthermore, their cytotoxic\neffects on mitogen-activated peripheral blood mononuclear cells (MA-PBMCs) were evaluated to determine their selectivity. Due to its\nselective and potent anticancer activity, compound 2j was benchmarked for its apoptosis-inducing potential on K562 cell line and inhibitory\neffects on eight different tyrosine kinases (TKs) including ABL1 kinase. In order to investigate the binding mode of compound 2j into the\nATP binding site of ABL1 kinase (PDB: 1IEP), molecular docking study was conducted using MOE 2018.01 program. The QikProp module\nof Schrödinger’s Molecular modelling package was used to predict the pharmacokinetic properties of compounds 2a-p.</jats:p>\n</jats:sec>\n<jats:sec>\n<jats:title>Results:</jats:title>\n<jats:p> 4-(4-(Methylsulfonyl)phenyl)-2-[2-((1,3-benzodioxol-4-yl)methylene)hydrazinyl]thiazole (2j) showed\nantiproliferative activity against K562 cell line with an IC<jats:sub>50</jats:sub> value of 8.87±1.93 μM similar to imatinib (IC50=\n6.84±1.11μM). Compound 2j was found to be more effective than imatinib on HL-60, Jurkat and MT-2 cells.\nCompound 2j also showed cytotoxic activity against HeLa cell line similar to imatinib. The higher selectivity\nindex value of compound 2j than imatinib indicated that its antiproliferative activity was selective. Compound\n2j also induced apoptosis in K562 cell line more than imatinib. Among eight TKs, compound 2j showed the\nstrongest inhibitory activity against ABL1 kinase enzyme (IC<jats:sub>50</jats:sub>= 5.37±1.17μM). According to molecular\ndocking studies, compound 2j exhibited high affinity to the ATP binding site of ABL1 kinase, forming\nsignificant intermolecular interactions. On the basis of in silico studies, this compound did not violate Lipinski's\nrule of five and Jorgensen's rule of three.</jats:p>\n</jats:sec>\n<jats:sec>\n<jats:title>Conclusion:</jats:title>\n<jats:p> Compound 2j stands out as a potential orally bioavailable ABL1 kinase inhibitor for the treatment of CML.</jats:p>\n</jats:sec>"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1383670319453798272","@type":"Researcher","foaf:name":[{"@value":"Ebru Zeytün"}],"jpcoar:affiliationName":[{"@value":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, Eskisehir 26470,Turkey"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798147","@type":"Researcher","foaf:name":[{"@value":"Mehlika D. Altıntop"}],"jpcoar:affiliationName":[{"@value":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, Eskisehir 26470,Turkey"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798145","@type":"Researcher","foaf:name":[{"@value":"Belgin Sever"}],"jpcoar:affiliationName":[{"@value":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, Eskisehir 26470,Turkey"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798146","@type":"Researcher","foaf:name":[{"@value":"Ahmet Özdemir"}],"jpcoar:affiliationName":[{"@value":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, Eskisehir 26470,Turkey"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798149","@type":"Researcher","foaf:name":[{"@value":"Halil I. Ciftci"}],"jpcoar:affiliationName":[{"@value":"Medicinal and Biological Chemistry Science Farm Joint Research Laboratory, Faculty of Life Sciences, Kumamoto University, 5-1 Oe-honmachi, Chuo-Ku, Kumamoto 8620973,Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798148","@type":"Researcher","foaf:name":[{"@value":"Doha E. Ellakwa"}],"jpcoar:affiliationName":[{"@value":"Department of Biochemistry, Faculty of Pharmacy, Al-Azhar University, Cairo,Egypt"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798144","@type":"Researcher","foaf:name":[{"@value":"Masami Otsuka"}],"jpcoar:affiliationName":[{"@value":"Medicinal and Biological Chemistry Science Farm Joint Research Laboratory, Faculty of Life Sciences, Kumamoto University, 5-1 Oe-honmachi, Chuo-Ku, Kumamoto 8620973,Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1420282801203795712","@type":"Researcher","personIdentifier":[{"@type":"KAKEN_RESEARCHERS","@value":"00322256"},{"@type":"NRID","@value":"1000000322256"},{"@type":"NRID","@value":"9000000842028"},{"@type":"NRID","@value":"9000019948563"},{"@type":"NRID","@value":"9000391960864"},{"@type":"NRID","@value":"9000257743672"},{"@type":"NRID","@value":"9000408625736"},{"@type":"NRID","@value":"9000409788197"},{"@type":"NRID","@value":"9000241773902"},{"@type":"NRID","@value":"9000414220029"},{"@type":"NRID","@value":"9000408624687"},{"@type":"RESEARCHMAP","@value":"https://researchmap.jp/7000016570"}],"foaf:name":[{"@value":"Mikako Fujita"}],"jpcoar:affiliationName":[{"@value":"Medicinal and Biological Chemistry Science Farm Joint Research Laboratory, Faculty of Life Sciences, Kumamoto University, 5-1 Oe-honmachi, Chuo-Ku, Kumamoto 8620973,Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798151","@type":"Researcher","foaf:name":[{"@value":"Zeynep Ocak"}],"jpcoar:affiliationName":[{"@value":"Department of Microbiology, Kocaeli State Hospital, Kocaeli 41300,Turkey"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670319453798152","@type":"Researcher","foaf:name":[{"@value":"Mohamed O. 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