Synthesis, Molecular Docking and Antiproliferative Activity Studies of a Thiazole-Based Compound Linked to Hydrazone Moiety

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dc.authoridTAPERA, MICHAEL/0000-0001-9584-1731
dc.contributor.authorKekecmuhammed, Huseyin
dc.contributor.authorTapera, Michael
dc.contributor.authorTuzun, Burak
dc.contributor.authorAkkoc, Senem
dc.contributor.authorZorlu, Yunus
dc.contributor.authorSaripinar, Emin
dc.date.accessioned2024-10-26T18:09:50Z
dc.date.available2024-10-26T18:09:50Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstract(A new 4-oxothiazolidin-2-ylidene derivative bearing hydrazone moiety was synthesized via Michael addition between the reaction of 4-(4-nitrophenyl)-3-thiosemicarbazide and dimethyl acetylenedicarboxylate (DMAD). The structure of synthesized compound was elucidated using various spectral techniques such as FTIR, UV-spec, H-1 NMR and C-13 NMR. The structure of the related compound was confirmed by single-crystal X-ray analysis. Antiproliferative activity of the synthesized compound was evaluated in two human cancer cell lines, HepG2 (liver hepatocellular carcinoma cell line) and DLD-1 (human colon cancer cell line). In addition, molecular docking of synthesized compound was investigated to give an insight of its activity against Epidermal Growth Factor Receptor tyrosine kinase domain proteins (EGFR) (lung cancer) (PDB ID: 1 M17), deleted in Liver Cancer 2 proteins (DLC2) (liver cancer) (PDB ID: 2H80), and MLK4 kinase proteins (colon cancer) (PDB ID: 4UYA) were investigated. Furthermore, the ability of the molecule to be a drug was examined by ADME/T analysis.)
dc.description.sponsorshipResearch Fund of Erciyes University Scientific Research Project Coordinatorship [FDK-2021-10470, FHD-2022-11637]
dc.description.sponsorshipThis work was supported by the Research Fund of Erciyes University Scientific Research Project Coordinatorship with a project number of (BAP) FDK-2021-10470 and FHD-2022-11637.
dc.identifier.doi10.1002/slct.202201502
dc.identifier.issn2365-6549
dc.identifier.issue26
dc.identifier.scopus2-s2.0-85134061284
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1002/slct.202201502
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30286
dc.identifier.volume7
dc.identifier.wosWOS:000823697500001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemistryselect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectantiproliferative activity
dc.subjectcrystal X-ray analysis
dc.subjecthydrazone
dc.subjectmolecular docking
dc.subject4-oxothiazolidin-2-ylidene
dc.titleSynthesis, Molecular Docking and Antiproliferative Activity Studies of a Thiazole-Based Compound Linked to Hydrazone Moiety
dc.typeArticle

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