A Schiff‐Base Sensor for Effective Detection of Ni (II), V (III), and In (III): Molecular Docking Analysis

ABSTRACT A new Schiff base (3) was successfully synthesized and its purity was verified through NMR, FT‐IR and mass spectrometry analyses. The probe 3 sensing was performed with different metal ions demonstrated selective detection of Ni (II), In (III), and V (III) UV–visible spectrophotometric, also the titration plots helped to determine respective limits of detection (LOD) of 3.0, 0.28, and 0.37 μM respectively. Stoichiometric analysis revealed binding ratios of 1:1 for Ni (II) and V (III) and 2:1 for In (III) against probe 3. Minimal changes in absorbance indicated negligible interference from other metal ions. Molecular docking studies against biologically significant protein 4UUN identified the TRPV1 ion channel, involved in pain and heat sensation, showing the highest binding affinity with a binding energy value −8.87 kcal/mol.