The pathway from prebiotic chemistry to modern biology has proven difficult to resolve because the prebiotic chemical reactions leading to the modern DNA-protein machinery are currently unknown. A primitive polymer that could spontaneously form from available precursors may have preceded DNA as the first genetic material. The discovery of molecules similar to nucleotides and amino acids as components of meteorites has reinvigorated interest this area of research, Sampling of source material at extraterrestrial locations is possible and it is essential to define plausible DNA and protein precursors to target for detection through remote sensing. 5-hydroxymethylated pyrimidines (HMPs) have been identified as potential nucleotide precursors based on research that has shown the HMPs can spontaneously form oligomers up to eight monomers in length in aqueous solutions and these oligomers contain uracil and cytosine. However, no research has been done to examine the thermodynamic and dynamic properties of the HMP monomers or oligomers they form. Using molecular dynamics simulations we have identified differences in the intermolecular interactions of monomer and oligomer systems of HMPs, which may have an effect on the ability of oligomers to form secondary structure. We show that stacking interactions of HMPs may be a strong driving force for aggregation of both monomers and small oligomers, which may be fundamentally important towards the synthesis of larger oligomeric and polymeric structures.

From primordial soup to replicating DNA: Analyzing a proposed precursor of modern nucleotides

253rd National Meeting (2017)

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