Quantum Chemical Studies on Molecular and Electronic Structure of Platinum and Tin Adducts with Guanine

Abstract

Abstract:The electronic structure of model platinum-guanine and tin-guanine adducts has been studied both at semiempirical level and by using ab initio methods at the correlation level. The possible binding energies have been evaluated and most probable strustures were determined. In all cases the binding enegies of the gaseous tin chelates are rather large. The stabilizing role of the hydrogen bonds has been pointed out in tinguanine chelates as well as comparison with the relevant platinum complexes is discussed.

Influence of Metals on DNA

“…Cis-platinum interacts with nucleosides preferentially through the N 7 site of guanine, but may also form bidentate chelates as a result of interaction both with N 7 and O 6 sites. Modifications induced to cisplatinum by the interaction with guanine have been studied using quantum chemistry (Lippert 1999, Chojnacki et al 2001.…”