Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system

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• 作者：Barone ; Giampaolo ; Ramusino ; Marina Cotta ; Barbieri ; Renato ; La Manna ; Gianfranco
• 关键词：PM3 calculation ; DNA model ; Organotin moiety
• 刊名：Journal of Molecular Structure: THEOCHEM
• 出版年：1999
• 出版时间：September 1, 1999
• 年：1999
• 卷：469
• 期：1-3
• 页码：143-149
• 全文大小：188 K

文摘

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 Mössbauer and X-ray data.