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dc.contributor.authorAkkoç, Senem
dc.contributor.authorTüzün, Burak
dc.contributor.authorÖzalp, Ayhan
dc.contributor.authorKökbudak, Zülbiye
dc.date.accessioned2022-05-13T09:00:49Z
dc.date.available2022-05-13T09:00:49Z
dc.date.issued19 July 2021tr
dc.identifier.citationa Suleyman Demirel University, Faculty of Pharmacy, Department of Basic Pharmaceutical Sciences, Isparta, 32260 , Turkey b Cumhuriyet University, Faculty of Sciences, Department of Chemistry, Sivas, 58140, Turkey c Erciyes University, Faculty of Medicine, Kayseri, 38039, Turkey d Erciyes University, Faculty of Sciences, Department of Chemistry, Kayseri, 38039, Turkeytr
dc.identifier.urihttps://hdl.handle.net/20.500.12418/13004
dc.description.abstractA series of heterocyclic compounds ( 15 ) were synthesized, characterized and tested towards two human cancer cell lines for learning their in vitro antiproliferative activities. Compound 3 demonstrated the most promising activity in breast cancer cell line with a half maximal inhibitory concentration (IC 50 ) value of 23.73 μM compared to other compounds ( 1, 2, 4, 5 ). Cytotoxic activity studies revealed that compounds 24 did not have antiproliferative activity towards liver cancer cell line. Computational methods were used to determine various quantum chemical parameters in order to identify correlations with the measured biological activity, which can assist in the molecular modeling of new heterocyclic systems. The biological activities of heterocyclic molecules against cancer cell proteins that are the crystal structure of the BRCT repeat region from the breast cancer-associated protein, ID: 1JNX, crystal structure of VEGFR kinase (liver cancer) protein, ID: 3WZE, and crystal structure of an allosteric Eya2 phosphatase inhibitor (lung cancer) protein, ID: 5ZMA, were compared. Finally, ADME/T analysis was performed for heterocyclic molecules and their future possibilities as a drug were investigated.tr
dc.language.isoengtr
dc.relation.isversionofhttps://doi.org/10.1016/j.molstruc.2021.131127tr
dc.rightsinfo:eu-repo/semantics/openAccesstr
dc.subjectADME/Ttr
dc.subjectDFTtr
dc.subjectHeterocyclic compoundtr
dc.subjectMolecular dockingtr
dc.titleInvestigation of structural, electronical and in vitro cytotoxic activity properties of some heterocyclic compoundstr
dc.typearticletr
dc.contributor.departmentSivas Meslek Yüksekokulutr
dc.identifier.volume1246tr
dc.identifier.startpage131127tr
dc.relation.publicationcategoryUluslararası Editör Denetimli Dergide Makaletr


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