Preparation, Characterization, Evaluation of Biological Activity and Molecular Anchoring of Thioxothiazolidine and Some Cyclic Amides

ABSTRACT This study reports the synthesis and characterization of a novel thioxothiazolidine derivative (AY1) through its reaction with 2‐aminoterephthalic acid under various catalytic conditions. In addition, a series of cyclic imides (AY2–AY5) was prepared by reacting 2‐aminoterephthalic acid with cyclic anhydrides, namely maleic and succinic anhydrides. The structural integrity of all synthesized compounds was confirmed using multiple spectroscopic techniques, including infrared (IR) spectroscopy and proton nuclear magnetic resonance ( 1 H‐NMR). The antimicrobial potential of the compounds was assessed against both Gram‐positive and Gram‐negative bacterial strains. Furthermore, molecular docking studies were performed to explore the binding interactions of the synthesized molecules with relevant bacterial targets. The combined experimental and computational results demonstrate that these compounds possess promising antibacterial properties, highlighting their potential as lead structures for future drug development.