ABSTRACT

The hydrogen-bonded minima formed between an important non-natural DNA nucleobase, 2-amino-7-hydroxy-l,8-naphthyridine (Nap), and adenine, guanine and imidazopyridopyrimidines, and in the Nap homodimer, were located using the HF/6-31G** method. Their interaction energies were calculated using the variational supermolecular MP2/6-31G*(0.25) approach. The results were discussed in the context of the properties of hydrogen bonds involved in the stabilization of these and related complexes.