Abstract

Hydrogen bonds play a critical role in nucleobase studies as they encode genes, map protein structures, provide stability to the base pairs, and are involved in spontaneous and induced mutations. Proton transfer mechanism is a critical phenomenon that is related to the acid–base characteristics of the nucleobases in Watson–Crick base pairs. The energetic and dynamical behavior of the proton can be depicted from these characteristics and their adjustment to the water molecules or the surrounding ions. Further, new pathways open up in which protonated nucleobases are generated by proton transfer from the ionized water molecules and elimination of a hydroxyl radical in this review, the analysis will be focused on understanding the mechanism of untargeted mutations in canonical, wobble, Hoogsteen pairs, and mutagenic tautomers through the non-covalent interactions. Further, rare tautomer formation through the single proton transfer (SPT) and the double proton transfer (DPT), quantum tunneling in nucleobases, radiation-induced bystander effects, role of water in proton transfer (PT) reactions, PT in anticancer drugs–DNA interaction, displacement and oriental polarization, possible models for mutations in DNA, genome instability, and role of proton transfer using kinetic parameters for RNA will be discussed.

Highlights

  • The cellular machinery, which has been managed by nature for millions of years, still shows errors during DNA replication

  • The double-proton transfer reactions in WC guanine– cytosine (GC) base pairs were studied after the addition of hydrogen atom (Lin et al, 2012) and the structural changes and energy differences were compared to explore the double proton transfer (DPT) mechanism

  • The results revealed that the concerted double-proton transfer mechanism is favorable in the gas phase and the stepwise mechanism is favorable in water with the PT products being energetically less favored

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Summary

Introduction

The cellular machinery, which has been managed by nature for millions of years, still shows errors during DNA replication. The proton transfer reaction involves three basic steps: (a) hydrogen bonding of the acid (A-H+) site to the base (B) forming intermediate A-H+.

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Conclusion
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