Synthesis of Schiff‐Base Allied Silanes for the Photophysical Detection of Cr(III) Ion And In‐Silico Staphylococcus Aureus Inhibiting Activity

Abstract

Chromium is known to play an important role in various metabolic pathways; however, its excessive use can result in negative impact on mankind, this necessitates the development of sensors for Cr(III) ion. The current study has incorporated the synthesis of ether derived Schiff base allied silanes 4 a–4 d, which have been characterized using 1H NMR, 13C NMR and mass spectrometry. The spectroscopic technique of UV‐visible has been utilized to study the sensing behaviour of probe 4 a, resulting in a good sensing ability towards Cr(III) ion, yielding a detection limit of 4.2×10−7 M and an association constant value of 2.25×106 M−1. In order to study the stoichiometric binding between probe and metal ion, Job's plot method has been employed which shows 1 : 1 binding ratio. The mechanism of binding has been studied via 1H NMR, UV‐visible, FT‐IR spectroscopy and mass spectrometry. The binding has been further supported by DFT. The real sample analysis has been performed to validate the utility of the synthesized sensor in practical applications. The theoretical tool of molecular docking has been considered to study the protein‐ligand interaction between S. aureus bacterial protein and ligand 4 a, yielding a value of −7.63 kcal/mol for binding energy.