Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system
- Authors: Barone G.; Ramusino M.C.; Barbieri R.; La Manna G.
- Publication year: 1999
- Type: Articolo in rivista
- Key words: DNA model; Organotin moiety; PM3 calculation
- OA Link: http://hdl.handle.net/10447/532102
Abstract
The interaction between a dinucleotide triphosphate duplex (DD), mimicking the DNA molecule, and the dimethyltin(IV) cation is studied by the semiempirical PM3 method. The results show that the interaction can occur involving the tin atom and the electron-donor centres of DD, requiring in some cases the presence of water molecules. In particular, the binding of the dimethyltin(IV) moiety with two adjacent phosphate oxygen atoms is allowed by the presence of water molecules coordinating to the tin atom. In this case the tin environment shows a geometry in agreement with 119Sn Mossbauer and X-ray data.