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

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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.authorBoumoud, Taoues
dc.date.accessioned2026-06-19T06:39:32Z
dc.date.available2026-06-19T06:39:32Z
dc.date.issued2024
dc.departmentMalatya Turgut Özal Üniversitesi
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.
dc.description.sponsorshipMentouri Constantine University, Constantine, Algeria; Idot;noenue University, Malatya, Turkey
dc.description.sponsorshipThe authors are grateful for the financial support from Mentouri Constantine University, Constantine, Algeria, and & Idot;noenue University, Malatya, Turkey.
dc.identifier.doi10.1080/10406638.2023.2281468
dc.identifier.endpage6629
dc.identifier.issn1040-6638
dc.identifier.issn1563-5333
dc.identifier.issue10
dc.identifier.orcid0000-0003-0094-3941
dc.identifier.orcid0000-0002-7727-8583
dc.identifier.orcid0000-0002-7180-9486
dc.identifier.scopus2-s2.0-85176921857
dc.identifier.scopusqualityQ2
dc.identifier.startpage6615
dc.identifier.urihttps://doi.org/10.1080/10406638.2023.2281468
dc.identifier.urihttps://hdl.handle.net/20.500.12899/5646
dc.identifier.volume44
dc.identifier.wosWOS:001105616600001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofPolycyclic Aromatic Compounds
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260612
dc.subjectPyridine-Malonate
dc.subjectAntioxidant
dc.subjectAnticancer
dc.subjectDft Calculations
dc.subjectDocking Study
dc.titleSynthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agents
dc.typeArticle

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