Novel Thiazolo-Triazole Derivative: Synthesis, Molecular Docking, and Biological Evaluation

Abstract

Fused heterocyclic moieties have emerged as a focal point in recent years due to their unique structure. In this study, we synthesized a novel 5-Arylidene-thiazolididinone compound based on an imidazole scaffold. The structures of all synthesized derivatives were elucidated by spectral methods, FTIR, ¹H, and ¹³C NMR. The target compound 6 was screened for its inhibitory activity as an antimicrobial agent and gained potent activity toward tested microorganisms (Staphylococcus aureus and Escherichia coli), which is more efficient than the standard drug, Amoxicillin. Additionally, the findings of the antioxidant study that was performed using DPPH for the new thiazolidinone derivative 6 revealed that it can trap the free radicals. Moreover, the molecular docking analysis showed that the target structure had an efficient binding interaction of 6 with the active site of the 6COX protein. Furthermore, the cytotoxicity assay results confirmed what the study found from the molecular docking study, which found that compound 6 has good activity against the MCF-7 cell line.