Efficient synthesis and molecular docking studies of new pyrimidine-chromeno hybrid derivatives as potential antiproliferative agents

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dc.contributor.authorYavuz, Sevtap Çağlar
dc.contributor.authorAkkoç, Senem
dc.contributor.authorTüzün, Burak
dc.contributor.authorŞahin, Onur
dc.contributor.authorSaripinar, Emin
dc.date.accessioned2022-05-13T10:27:10Z
dc.date.available2022-05-13T10:27:10Z
dc.date.issued26 May 2021.tr
dc.departmentSivas Meslek Yüksekokulutr
dc.description.abstractVarious novel heterocyclic compounds containing pyrimidine nuclei 5H-chromeno[4,3-d]pyrimidine (4a–c, e–h, l–r, t) and pyrimidine-5-yl-(2- hydroxyphenyl)methanone (5a, c, d, f–k, m–o, r, s, u) were synthesized from the reaction of guanylhydrazones (2a–u) and 3-formylchromone (3). These compounds were tested against human liver hepatocellular carcinoma cell line (HepG2) and human breast adenocarcinoma cell line (MDA-MB-231) using the MTT assay method. Furthermore, molecular docking calculations were performed to compare the biological activities of various novel heterocyclic compounds against cancer proteins. In these calculations, the protein used are crystal structure of the BRCT repeat region from the breast cancer associated protein, 1JNX, crystal structure of VEGFR kinase (liver cancer) protein, 3WZE, and crystal structure of an allosteric Eya2 phosphates inhibitor (lung cancer) protein, 5ZMA, respectively. After molecular docking calculations, absorption, distribution, metabolism, and excretion/toxicity analysis was performed to examine the properties of various novel heterocyclic compounds for their future use as drugs.tr
dc.identifier.citationaDepartment of Chemistry, Faculty of Science, Erciyes University, Kayseri, Turkey; bDepartment of Veterinary Science, S¸efaatli Vocational School, Yozgat Bozok University, Yozgat, Turkey; cDepartment of Basic Pharmaceutical Sciences, Faculty of Pharmacy, S€uleyman Demirel University, Isparta, Turkey; dDepartment of Chemistry, Faculty of Science, Sivas Cumhuriyet University, Sivas, Turkey; eScientific and Technological Research Application and Research Center, Sinop University, Sinop, Turkeytr
dc.identifier.doi10.1080/00397911.2021.1922920en_US
dc.identifier.endpage2159tr
dc.identifier.issue14tr
dc.identifier.scopus2-s2.0-85106523099en_US
dc.identifier.scopusqualityN/A
dc.identifier.startpage2135tr
dc.identifier.urihttps://hdl.handle.net/20.500.12418/13014
dc.identifier.volume51tr
dc.identifier.wosWOS:000654780900001en_US
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.relation.publicationcategoryUluslararası Editör Denetimli Dergide Makaletr
dc.rightsinfo:eu-repo/semantics/openAccesstr
dc.subjectAntiproliferative activitytr
dc.subjectpyrimidinetr
dc.subjectmolecular dockingtr
dc.subjectHepG2tr
dc.subjectMDA-MB-231tr
dc.titleEfficient synthesis and molecular docking studies of new pyrimidine-chromeno hybrid derivatives as potential antiproliferative agentsen_US
dc.typeArticleen_US

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