Mimic uracil-uracil base pairing: self-assembly and single crystal structure

The controllable synthesis of non-classical nucleobase pairs that can mimic partial biological behavior is very important for the in-depth study of DNA or RNA. Here, three different interaction modes of uracil-uracil base pairs (U-motif) have been explored in the coordination complexes of 2′-deoxyuracil 5′-monophosphate (dUMP) and uracil 5′-monophosphate (UMP) with transition metal ions by single crystal structural analysis and DFT calculations for the first time. The results indicate that the structural diversity of non-classical nucleobase pairs may be a bank of supramolecular interactions, which will contribute to the study of supramolecular chemistry and biochemistry.