Benzimidazole appended 1,2,3-Triazole Chemosensor: Selective Zr(IV) sensing coupled with anticancer and antioxidant potency

Benzimidazole appended 1,2,3-triazole was synthesized and highlighting the Zr(IV) sensing, antioxidant and anticancer properties. The characterization of the probe (Bentz) was executed via ¹H and ¹³C NMR, mass spectrum analysis, Infrared spectroscopy (FT). The Bentz shows good sensitivity and selectivity towards Zr(IV) in contrast to other various metal ions through UV–Visible spectrophotometer. The LOD and binding constant was figured out as 0.349 × 10⁻⁷ M and 5.32 × 10⁴ M⁻¹. Job's plot confirms that the binding ratio between Bentz and Zr(IV) comes out to be 1:1. The interaction between Bentz and Zr(IV) was verified through ¹H NMR, mass spectrum analysis and Fourier transform infrared spectroscopy. The Bentz showed antioxidant and anticancer activity which has been checked through experimental method and molecular docking analysis. The binding energies of Bentz with proteins human papillomavirus 31 and cyclooxygenase-2 comes out to be −10.43 and − 11.27 kcal/mol respectively.