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Synthesis of RNA nucleotides in plausible prebiotic conditions from ab initio computer simulations

revised on 27.04.2018, 09:58 and posted on 27.04.2018, 14:31 by Andrea Pérez-Villa, A. Marco Saitta, Thomas Georgelin, Jean-François Lambert, François Guyot, Marie-Christine Maurel, Fabio Pietrucci
Understanding the mechanism of spontaneous formation of ribonucleotides under realistic prebiotic conditions is a key open issue of origins-of-life research. In cells, de novo and salvage nucleotide enzymatic synthesis combines 5-phospho-α -D-ribose-1-diphosphate ( α-PRPP) and nucleobases. Interestingly, these reactants are also known as prebiotically plausible compounds. Combining ab initio molecular dynamics simulations with recently developed reaction exploration and enhanced sampling methods, we show that nucleobases and α -PRPP should spontaneously combine, under mild hydrothermal conditions, with an exothermic reaction and a facile mechanism, forming both purine and pyrimidine ribonucleotides.
Surprisingly, this mechanism is very similar to the biological one, and yields ribonucleotides with the same anomeric carbon chirality as in biological systems.
These results suggest that natural selection might have optimized -- through enzymes -- a pre-existing ribonucleotide formation mechanism, carrying it forward to modern life forms.


This work was supported by French state funds managed by the ANR within the Investissements d’Avenir programme under reference ANR-11-IDEX-0004-02, within the framework of the cluster of excellence MATeriaux Interfaces Surfaces Environnement (MATISSE) led by Sorbonne Universités


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Sorbonne Université - Faculté des Sciences et Ingénierie



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