A tetralone embedded Schiff base organosilane for the detection of Al(iii): in silico study and its anticancer activity

Abstract

This article reports the synthesis of chemosensor 3a, a tetralone-functionalized Schiff base linked to an organosilane via condensation. The ligand was thoroughly characterized by FT-IR spectroscopy, NMR spectroscopy, and mass spectrometry. Compound 3a displayed remarkable selectivity and sensitivity toward Al(III) over other metal ions, with binding confirmed through the Stern–Volmer equation. The limit of detection (27.3 × 10⁻⁸ M) and binding constant (2.59 × 10⁴ M⁻¹) highlight its excellent sensing performance. Additionally, molecular docking with 4xr8 revealed strong binding of 3a to the HPV E6–p53 complex (–6.39 kcal mol⁻¹), indicating potential to restore p53 function. Consistently, in HeLa cells, 3a reduced viability by 58.89% and induced apoptosis, further supporting its promising anticancer potential.