Comparison of the anticancer activity with electronic properties and thermodynamic and kinetic parameters of the interaction of selected platinum(II) derivativesthe with guanine

Petra Matunová and Jaroslav V. Burda^*

Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16 Prague 2, Czech Republic

^*author whom correspondence should be addressed

Three potential anticancer agents (trans-[PtCl₂(NH3)(thiazole)], cis-[PtCl₂(NH₃)(piperidin)], and PtCl₂(NH₃)(cyclohexylamine) (JM118)) were explored and compared with cisplatin and the inactive [PtCl(dien)]⁺ complex. Basic electronic properties, bonding and stabilization energies were determined and thermodynamic and kinetic parameters for interaction with guanine were estimated at the B3LYP/6-311++G(2df,2pd) level of theory. Since the interaction with nucleotides can represent one of the basic processes, the obtained rate constants can be compared with the experimental IC₅₀ values for several tumor cells. Despite the fact that the processes in which the drugs are involved and in which they affect cells are very complex, some correlation can be deduced.