Hydrolysis process of the second-generation platinum-based anticancer drug cis-amminedichlorocyclohexylamineplatinum(II)

Article Abstract:

The hydrolysis process of the anticancer drug cis-amminedichlorocyclohexylamineplatinum(II) and the influence of solvent models is sudied using hybrid density functional theory (B3LYP). The results reveal that the explicit solvent effects originating from the inclusion of extra water molecules into the system are significantly stronger than those arising from the bulk aqueous medium.

Usage, Density functionals, Density functional theory, Hydrolysis, Platinum compounds

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Theoretical study of cisplatin binding to DNA: The importance of initial complex stabilization

Article Abstract:

The first and second substitution reactions between activated (hydrolyzed) cisplatin, Pt(NH3)2(H2O)2(super 2+), and purine bases guanine and adenine are explored. The role of initial complex stabilization in governing the system toward observed products is discussed and a suggestion for the origin of the direction specificity of the 1,2-d(ApG) products is presented.

DNA-ligand interactions, DNA binding, Cisplatin

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Theoretical modeling of hydroxyl-radical-induced lipid peroxidation reactions

Article Abstract:

The lipid peroxidation is studied using a nonadenine model of linoleic acid. The oxidation is found to be terminal involving the mono-allylic methylene groups at the end for hydrogen abstraction.

Lipids, Oxidation-reduction reaction, Oxidation-reduction reactions, Radicals (Chemistry), Hydroxides, Report

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