Luminescent Schiff base derived triazolyl silane: An emerging sensor for detection of Fe3+, Cu2+and a ceruloplasmin inducer validated via docking

The branch of Bio-inorganic chemistry that involves the role of metal ions in biological system has been of great interest for researchers. Among them, 3d series transition elements are the essential micronutrients that are required in adequate amount for proper functioning of living cells. In the current study new Schiff base derived triazolyl silane 7a has been designed, synthesized, and well characterized by 1H, 13C NMR spectroscopy and mass spectrometry technique. The absorptive and emissive behaviour of 7a towards different metal ions was explored and it was found that 7a displayed excellent luminescent sensing response to essential microelements including Fe3+ and Cu2+ ions. The binding site and binding mechanism between 7a and microelements was confirmed by DFT calculations along with 1H NMR and mass spectrometry. The stability of 7a under biological conditions and its practical applicability was explored by performing pH study and analysis of real coconut water sample. Further, molecular docking studies of 7a were performed with ceruloplasmin, a copper containing protein to check the pharmacological activity of 7a as a drug that could induce ceruloplasmin activity and hence help in iron metabolism among those fighting for Wilson's disease.