GREMMLENZ UNICAMP

This study presents the synthesis and comprehensive characterization of a novel water-soluble Pd(II) complex with l-alliin (S-allyl-l-cysteine sulfoxide). The complex, represented by the formula [Pd(C6H10NO3S)2], was thoroughly analyzed using chemical and spectroscopic methods, including elemental and mass spectrometric analyses. The 1H and 13C nuclear magnetic resonance (NMR) data, [1H–15N] two-dimensional (2D) NMR, and infrared spectroscopic measurements revealed coordination of the ligand to Pd(II) through nitrogen and oxygen atoms.

Density functional theory (DFT) studies indicated that the trans isomer is the most stable and preferred geometry for the complex. The water-soluble nature of the complex, confirmed by its solubility in water and dimethylsulfoxide, enhances its potential biomedical applications. Antibacterial assays demonstrated effective antibacterial activity against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus bacterial strains, with concentrations ranging from 125 to 500 μg mL−1. Additionally, antitumor assays revealed significant cytotoxic activity against HeLa cells, with an estimated IC50 of 20 μmol L−1.

Explore the synthesis, spectroscopic characteristics, and remarkable antibacterial and antitumor activities of this innovative water-soluble Pd(II) complex with l-alliin.