Amidoquinoline‐Isatin‐Linked 1,2,3‐Triazole: Selective Pb(II) Sensor and In Silico Biological Insights

Abstract Amidoquinoline‐isatin‐linked 1,2,3‐triazole based probe was synthesized for Pb(II) sensing. The probe demonstrated a notable hypochromic shift at λ max = 305 nm, with a hyperchromic response around λ max = 265 nm, and an isosbestic point at λ = 270 nm. The LOD and LOQ for Pb(II) sensing were 0.026 and 0.087 mM, respectively. The job's plot analysis revealed a 1:1 stoichiometry between the probe and Pb(II) ions. The metal complex was found stable at varying time and temperature. The DFT/TD‐DFT calculations offered valuable insights into the molecular interactions of probe and its complex. Additionally, in silico pharmacological studies and molecular docking results augmented the importance of the probe.