2025

Emad, Sara; El‐Dissouky, Ali; Elbadawy, Hemmat A.; Ali, M.; Barakat, Assem; Haukka, Matti; Tatikonda, Rajendhraprasad; El‐Faham, Ayman; Soliman, Saied M.; Yousri, Amal

The [Cd(DPPT)Cl2] (1) and [Cd(DMPT)(NO3)2(H2O)].H2O (2) complexes of the 1,3,5-triazine ligands DPPT and DMPT were reported. 1 has slightly distorted square pyramidal geometry around the Cd(II) ion, while 2 adopted distorted triangular dodecahedral coordination geometry. Hirshfeld energy framework analysis showed that electrostatic and dispersion energies have a significant influence in stabilizing their crystal lattice. DFT calculations predicted that 1 and 2 have 36 and 35 times greater hyperpolarizability than urea suggesting the new Cd(II) complexes as promising candidates for nonlinear optical applications. Both complexes exhibit broad-spectrum activity against tested bacteria with inhibition zone diameters (IZDs) within the range of 17–35 mm and fungi (IZD = 15–20 mm), except for 1 against A. fumigatus. Both complexes outperformed the positive control gentamicin toward S. aureus. While gentamicin produced a 24 mm inhibition zone, complexes 1 and 2 achieved zones of 35 and 31 mm, respectively. Additionally, the Cd(II) complexes effectively inhibited the growth of HCT-116 and A-549 tumor cells. 1 is more active (IC50 = 11.44 ± 0.23 and 7.86 ± 0.14 μM) than 2 (IC50 = 16.30 ± 0.49 and 32.50 ± 1.12 μM) against these cells, respectively. Furthermore, the selectivity indices of Cd(II) complexes exceeded 1, suggesting their potential as antineoplastic factors.