A Dual-Functional Schiff Base Probe for Selective Recognition of Iridium Ions and Biological Applications: Synthesis, Characterization, and Molecular Docking Insights

Abstract

This study presents the evolution of a sensitive and selective sensor for monitoring iridium ions, marking a novel advancement in this field. An iridium complex was synthesized using a Schiff base ligand (SBS & SBS-Cl) and thoroughly characterized through various spectroscopic techniques and XRD. UV-Vis spectroscopic analysis revealed a distinct blue shift upon the addition of iridium ions, attributed to the migration of electrons (LMCT). Selectivity studies confirmed the ligand's specificity for iridium ions, while Job's plot study inferred a 1:1 binding ratio with low detection limits and high binding constants (Ka) of 42.2 mu M and 11.7*103 M-1 for SBS and 2.09 mu M and 6.2*102 M-1 for SBS-Cl respectively. Cytotoxicity assays on SAF-1 cell lines confirmed the compound's nontoxicity, and its efficacy against cervical cancer cells by reduction in cell viability up to 63.30 % and 83.62 %. Molecular docking analysis further explored its biological activity, providing insights into its interaction mechanisms with significant binding energy value. This dual-functional Schiff base ligand shows significant potential in both analytical sensing and biomedical applications.