| Abstract: | Abstract Strain-energy minimization calculations of adducts of platinum(II) complexes containing 1,2-diaminocyclohexane (DACH) with the sequence d(pCpGpAp)·d(pGpCpTp) of a synthetic B-DNA were carried out by using a modification of the MM2 program. (C, G, A, T, and p denote cytidine, guanosine, adenosine, thymidine, and phosphate, respectively). In result, the more antitumor-active trans-DACH complex adducts are about 37 kJ/mol more stable than the cis complex in total energy. Platinum-complex adducts of 2-(aminomethyl)cyclohexylamine abbreviated as AMCHA were also estimated. In calculations, the trans-AMCHA-complex adducts are about 6 to 14 kJ/mol more stable than the cis ones. The differences are less than between the DACH complexes. In addition, this relaxation of strain occurred in the six-membered ring. |
