Theoretical investigation of inclusion complex formation of Gold (III) – Dimethyldithiocarbamate anticancer agents with cucurbit

Abstract:Gold (III)-N,N-dimethyldithiocarbamateccomplexes have recently gained increasingattention as potential anticancer agents because of their strong tumor cell growth–inhibitoryeffects, generally achieved by exploiting non-cisplatin-like mechanisms of action. In this studythe physical properties of gold(III) dimethyldithiocarbamate ([DMDT(Au)X2]) complexes asanticancer were calculated using theoretical method.To establish the relevance of differentbasis sets, calculations were carried out at different levels of theory: 3-21G,6-31++G**