Breast cancer active unsymmetrical diamine and sulfur chelator-based Pd(II) complexes: Their bio-activity, cytotoxicity and photo-physical properties.

N-Benzyl-2-pyridinylethylamine (NBPA) and sulfur-containing L-cysteine (LC), N-acetyl-L-cysteine (NALC), DL-methionine (DL-meth) and DL-penicillamine (DL-pen) were used as chelators to develop Pd(II) complexes and were characterized by photo-physical techniques. The PASS and ADMET software-screened Pd(II) complexes were theoretically validated and selected for detailed bioactivity studies. Their structural properties and molecular docking were investigated theoretically. Their DNA and BSA binding activity were executed by spectroscopic methods as part of a pharmacokinetic and pharmacodynamic study, to observe the drug binding mechanism with DNA and delivery through serum protein (BSA). To ascertain the conformational alteration of the BSA macromolecule due to interaction with the Pd(II) complex, 3D and synchronous fluorescence techniques were employed. The cytotoxic properties of these Pd(II) complexes were tested against breast cancer cells (MCF-7) and normal embryonic kidney cells (HEK-293), and their anticancer activity is highly encouraging and warrants further focus. Additionally, the generation of reactive oxygen species (ROS) was assessed using the NBT assay. Overall, the results prove that these complexes hold significant potential for future in vivo studies and the development of novel therapeutic agents.