Akademik Veri Yönetim Sistemi
JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY, cilt.39, sa.6, ss.1-12, 2025 (SCI-Expanded)
A series of six novel cyanopyridine derivatives bearing a 1,3,4‐oxadiazole ring have been synthesized and characterized by FTIR,13C NMR, 1H NMR, and elemental analysis. DFT calculations were carried out to determine their molecular geometries,electronic properties, and chemical reactivity. Their cytotoxicity has been evaluated against MCF‐7 and CaCo‐2 human cancercell lines using the MTT assay. Most compounds displayed poor cytotoxic activity against the MCF‐7 cell line except forcompound 4e, which showed potent activity with IC50 = 8.352 μM. However, the CaCo‐2 cell line was highly sensitive towardmost tested compounds with an IC50 range from 2.612 μM to 8.394 μM except for compound 4 d. Molecular docking studiestargeting human topoisomerase‐IIβ revealed that all compounds exhibited excellent binding affinity within the enzyme's activesite, with binding energies ranging from −7.33 to −8.28 kcal/mol. These findings suggest a potential anticancer mechanismunderlying the observed cytotoxic activities. All tested compounds revealed low antioxidant activity in the DPPHassay. However, compounds 5b and 5 d presented moderate metal chelating activity. These findings underscore the potentialanticancer properties of the synthesized cyanopyridine derivatives.