Synthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agents

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dc.authoridBoulebd, Houssem/0000-0002-7727-8583
dc.authorwosidBoulebd, Houssem/HMP-2883-2023
dc.contributor.authorKadi, Ibtissem
dc.contributor.authorGuldeniz, Sekerci
dc.contributor.authorBoulebd, Houssem
dc.contributor.authorZebbiche, Zineddine
dc.contributor.authorTekin, Suat
dc.contributor.authorKucukbay, Fatumetuzzehra
dc.contributor.authorGonul, Zeynep
dc.date.accessioned2024-08-04T20:54:50Z
dc.date.available2024-08-04T20:54:50Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractA series of new pyridine-malonate derivatives were synthesized and fully characterized by 1HNMR, 13CNMR, FTIR, and elemental analysis. Their molecular geometry and chemical reactivity have been investigated using DFT calculations. The cytotoxicity of all synthesized compounds was assessed against two human cancer cell lines (MCF-7 and A-2780) using the MTT assay. Among them, compounds 2a, 2c, 2e, and 2g showed comparable or more potent cytotoxicity toward the MCF-7 cells than the reference drug docetaxel (IC50 = 0.34-0.47 vs. 0.50 mu M). In contrast, only compound 2g showed more potent cytotoxicity against the A-2780 cell line compared to the standard (IC50 = 0.36 vs. 0.42 mu M). The docking study revealed a good affinity for the active site of the human topoisomerase-II beta enzyme, which may explain the promising cytotoxicity of these classes of molecules. The radical scavenging activity of the respective compounds was studied using DPPH radical scavenging assay and it was found that most of the compounds are moderate DPPH radical scavengers compared to the standard drugs BHA and BHT.en_US
dc.description.sponsorshipMentouri Constantine University, Constantine, Algeria; Idot;noenue University, Malatya, Turkeyen_US
dc.description.sponsorshipThe authors are grateful for the financial support from Mentouri Constantine University, Constantine, Algeria, and & Idot;noenue University, Malatya, Turkey.en_US
dc.identifier.doi10.1080/10406638.2023.2281468
dc.identifier.issn1040-6638
dc.identifier.issn1563-5333
dc.identifier.scopus2-s2.0-85176921857en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1080/10406638.2023.2281468
dc.identifier.urihttps://hdl.handle.net/11616/101674
dc.identifier.wosWOS:001105616600001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Ltden_US
dc.relation.ispartofPolycyclic Aromatic Compoundsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPyridine-malonateen_US
dc.subjectantioxidanten_US
dc.subjectanticanceren_US
dc.subjectDFT calculationsen_US
dc.subjectdocking studyen_US
dc.titleSynthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agentsen_US
dc.typeArticleen_US

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