Vibrational and DFT Studies and Anticancer Activity of Novel Pd(II) and Pt(II) Complexes with Chloro Derivatives of 7-Azaindole-3-Carbaldehyde.

This study investigates the structural, vibrational, and biological properties of novel palladium(II) and platinum(II) complexes with 5-chloro-7-azaindole-3-carbaldehyde (5ClL) and 4-chloro-7-azaindole-3-carbaldehyde (4ClL) ligands. Infrared and Raman spectroscopy, combined with DFT (ωB97X-D) calculations, provided valuable information about metal-ligand interactions, the or conformation of the aldehyde group in the ligands, and the presence of isomers in the metal complexes obtained in the solid state. tests were used to evaluate the antiproliferative activity of the novel complexes against several cancer cell lines, including ovarian cancer (A2780), cisplatin-resistant ovarian cancer (A2780cis), colon cancer (HT-29), and triple-negative breast cancer (MDA-MB-231), as well as normal mouse fibroblasts (BALB/3T3). The platinum complex, -[PtCl(5ClL)], exhibited superior activity against A2780cis (IC = 4.96 ± 0.49 µM) and MDA-MB-231 (IC = 4.83 ± 0.38 µM) compared to cisplatin, while the palladium complexes (-[PdCl(4ClL)] and -[PdCl(5ClL)]) demonstrated enhanced selectivity with reduced toxicity to normal fibroblasts (IC = 11.29 ± 6.65 µM and 14.98 ± 5.59 µM, respectively).