Akademik Veri Yönetim Sistemi
Journal of Molecular Structure, cilt.1365, 2026 (SCI-Expanded, Scopus)
Cancer remains one of the most important health problems today and there is a continuing need for new, effective, selective agents for its treatment. For this purpose, some new semicarbazide derivatives were synthesized based on clopidogrel. IR, 1H-NMR, 13C-NMR (decoupled and APT), 2D-NMR techniques and elemental analysis data were used to confirm the structures of the compounds. The antiproliferative activities of the compounds were investigated on UM-UC-3 and L929 cells. Compounds A2, A5, A6, and A7 are the derivatives with the highest antiproliferative activity in the series, with selective IC50 values of 7.80 ± 2.03-15.78 ± 3.05 μM. The inhibitory activities of the compounds on the enolase-1 (ENO1) enzyme were investigated. Compounds A2 and A5 are the most potent ENO1 inhibitors in the series, with inhibition values of 66.03–2.54 % and 33.08–2.22 %, respectively. Compound A2, the most active derivative, was determined to increase ROS levels and apoptosis in UM-UC-3 cells, resulting in both antiproliferative and enzyme activity. The interactions of compounds A2 and A5 with ENO1 were performed using molecular docking and MD studies. Furthermore, optimized molecular structures and molecular electrostatic surface potential plots, frontier molecular orbital (FMO) analysis, electronic and global reactivity descriptors of the compounds A1–A10 were performed using the DFT method.