Design, Hemisynthesis, Computational, and Biological Evaluation of Novel Totarol‐1,3‐Thiazol Derivatives as Anticancer Agents

value comparable to those of reference anticancer drugs. By activating caspases 4 and 8, which mediate the stress-mediated and extrinsic apoptosis pathways, respectively, compound DBT9 caused MCF-7 cell death. Furthermore, density functional theory (DFT) was carried out to study the electronic properties and the chemical reactivity of the synthesized compounds. Furthermore, molecular docking studies revealed that DBT9 displayed the highest binding affinity toward multiple cancer-associated target proteins, including EGFR, VEGFR-2, and FGFR1. These findings indicate that DBT9 showed the best cytotoxic activity through the induction of apoptosis via caspase 4 and 8 pathways, indicating its potential as a promising bioactive compound.