Synthesis and Biological Evaluation of New Thiocarbamoylpyrazoline and Chalcone Derivatives on Bone Cancer Cell Lines: In Vitro and In Silico Studies. (PubMed, ACS Omega)
Compared to the reference drug 5-fluorouracil (5-FU), several compounds displayed notable antiproliferative activity...Among these, compounds 4 and 10 exhibited the most favorable anticancer profiles, combining potent antiproliferative activity with minimal toxicity to normal cells. Furthermore, to support the experimental anticancer findings, in silico molecular docking studies were performed using the crystal structures of caspase-3 (1GFW), human metalloproteinase-13 (3KEJ), human estrogen receptor (3ERT), and EGFR (1M17) against compounds 1, 2, 4, and 10, and their binding modes were analyzed.