Abstract

The study delves into the synthesis of diazenyl-propargyl appended imine functionalized moiety (4) emphasizing its structural dynamic, Fe(III) sensitivity, and anticancer potential. The synthesized compound was characterized via NMR (1H,13C), TGA, mass spectrometry, and single-crystal X-ray crystallography. The color transition of the compound from yellow to red demonstrates naked-eye sensing for Fe (III), validated by UV–visible spectroscopy. The limit of detection (LOD) and Association Constant (Ka) were calculated from the linear calibration curve and the B–H plot come out to be 28.71 nM and 2.17 × 105 M−1, respectively. As per Job’s plot Fe(III) binds to probe (4) in 1:1 stoichiometry. The interaction of probe (4) with Fe(III) has been examined through VSM (vibrating spectrum magnetism) study, FT-IR, 1H NMR and mass spectrometry. The pharmacokinetic properties of the synthesized compound were assessed, emphasizing absorption, distribution, metabolism, excretion and toxicity. The cytotoxicity assay using SAF-1 cell line indicated that the compound is nontoxic. Also compound (4) showed positive response on cervical cancer cells line and this anti-cancer potential has been further explored through molecular docking analysis.

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