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

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dc.authoridTUZUN, BURAK/0000-0002-0420-2043
dc.authoridAkkoc, Senem/0000-0002-1260-9425
dc.contributor.authorYavuz, Sevtap Caglar
dc.contributor.authorAkkoc, Senem
dc.contributor.authorTuzun, Burak
dc.contributor.authorSahin, Onur
dc.contributor.authorSaripinar, Emin
dc.date.accessioned2025-03-23T19:35:28Z
dc.date.available2025-03-23T19:35:28Z
dc.date.issued2021
dc.departmentSinop Üniversitesi
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.
dc.description.sponsorshipErciyes University Research Fund [FDK-2016-6664]
dc.description.sponsorshipThis work was financially supported by Erciyes University Research Fund [FDK-2016-6664].
dc.identifier.doi10.1080/00397911.2021.1922920
dc.identifier.endpage2159
dc.identifier.issn0039-7911
dc.identifier.issn1532-2432
dc.identifier.issue14
dc.identifier.scopus2-s2.0-85106523099
dc.identifier.scopusqualityQ2
dc.identifier.startpage2135
dc.identifier.urihttps://doi.org/10.1080/00397911.2021.1922920
dc.identifier.urihttps://hdl.handle.net/11486/5876
dc.identifier.volume51
dc.identifier.wosWOS:000654780900001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Inc
dc.relation.ispartofSynthetic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectAntiproliferative activity
dc.subjectHepG2
dc.subjectMDA-MB-231
dc.subjectpyrimidine
dc.subjectmolecular docking
dc.titleEfficient synthesis and molecular docking studies of new pyrimidine-chromeno hybrid derivatives as potential antiproliferative agents
dc.typeArticle

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