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In recent years, theoretical and experimental studies have made efforts to understand the origin of the building blocks that gave rise to life, generating a lot of discussion about abiogenesis theme 1-3. The idea most widely widespread, known as “the RNA World””4-5, maintains that life arose spontaneously through five main stages: (1) prebiotic synthesis of nucleotides; (2) prebiotic formation of polynucleotides from the nucleotides; (3) emergence of special RNA molecules catalyzing its own replication; (4) evolution of the primordial replicases towards more efficient ones; (5) emergence and evolution of other and better catalytic RNA molecules6-7. All stages are target of much speculation and discussion as it can not be replicated faithfully the original conditions in the laboratory, and there is no guarantee that will be performed in the future8. This work, from a semi-empirical theoretical approach, investigates some aspects of the two first stages by means of thermochemical data from the prebiotic nucleotide synthesis reactions, and short sequences of DNA and RNA. The objective was to verify that various abiotic reactions identified in the literature9-10 as natural precursor in the formation of life blocks can occur spontaneously in abiotic environment. It was used as a criterion calculating the Gibbs free energy, since the thermodynamic parameters calculated by semi-empirical methods such as AM1 and PM3 has shown a good correlation with experimental data11.

Synthetic Routes of the Fundamental Building Blocks of Life: Computational Study of The Reaction Free Energy