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• W2017010192 abstract "Abstract Using the semiempirical all-valence method (GRINDOL) together with the virtual-charge method to represent the solvent effect, the solvation (hydration) energies of some platinum (II) complexes were calculated. Based on these results and on the results of calculations of formation energies in the gas phase, the formation of the platinum dimers and some possible interactions of Pt(II) antitumor complexes with guanine, thioguanine and the phosphate group are discussed. It is concluded that: (i) the solvent more strongly stabilizes the Pt(II) 06-N7 chelate than it does the intrastrand N7-N7 crosslink, but the latter is enthalpy favoured; (ii) binding of Pt(II) to the phosphate group is less likely than binding to guanine in N7 region; (iii) platinum dimers, if formed, react with guanine and will disappear from solution under normal conditions; and (iv) the solvent effect does not change the main conclusions obtained for the gas phase in cases of the interaction of cis -Pt(II) with thioguanine and trans -Pt(II) with guanine." @default.
• W2017010192 created "2016-06-24" @default.
• W2017010192 creator A5000297842 @default.
• W2017010192 date "1989-11-01" @default.
• W2017010192 modified "2023-09-25" @default.
• W2017010192 title "Electronic structure of platinum(II) antitumor complexes and their interactions with nucleic acid bases. Part II" @default.
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• W2017010192 doi "https://doi.org/10.1016/0166-1280(89)87083-6" @default.
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