An ab initio study of the interaction of DNA fragments with methyllithium

Danielle Sapse (1) , Élise Champeil (1) , Jacques Maddaluno (2) , Catherine Fressigné (2) , Anne-Marie Sapse (1)

1 John Jay College of the city university of New York
2 COBRA - Chimie Organique et Bioorganique : Réactivité et Analyse

A theoretical (HF/6-31G∗∗ and DFT, B3LYP/6-31G∗∗) study of the interactions between methyllithium and the DNA bases or several nucleosides is presented. Both the complexes following the binding of MeLi on these substrates and the structure of the entities resulting from the subsequent deprotonation reaction have been characterized.

Domains: Chemical Sciences

Danielle Sapse, Élise Champeil, Jacques Maddaluno, Catherine Fressigné, Anne-Marie Sapse. An ab initio study of the interaction of DNA fragments with methyllithium. Comptes Rendus. Chimie, 2008, 11 (10), pp.1262-1270. ⟨10.1016/j.crci.2008.04.009⟩. ⟨hal-02357648⟩