Carbamodithiolates are a class of sulfur-based metal-chelating compounds with various applications in medicine. A new series of new transition metal [Cu(II), and Ru (II)] complexes of Carbamodithiolates were synthesized from Pramepexole and Carbon disulfide and further characterized. The investigation of these complexes confirmed that the stability of metal–ligands coordination through, S & S,N atoms as bidendate chelates. Docking studies showed that blocking the division of cancer cells and resulting in cell death. It is necessary to understand the binding properties in developing new potential Protein targeting against neurological disorders