ArticleThe journal of physical chemistry. B2023
Tautomerisation Mechanisms in the Adenine-Thymine Nucleobase Pair during DNA Strand Separation.
Article in The journal of physical chemistry. B, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed, 8 citations in OpenAlex.
- What Is life? Rethinking Biology in Light of Fundamental Parameters.Life (Basel, Switzerland) · 2024Review
- Multiscale simulations reveal the role of PcrA helicase in protecting against spontaneous point mutations in DNA.Scientific reports · 2023Article
- How proton transfer impacts hachimoji DNA.RSC advances · 2023Article
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Authors and funding
6 authors at 1 institution in 1 country.
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Abstract
The adenine-thymine tautomer (A*-T*) has previously been discounted as a spontaneous mutagenesis mechanism due to the energetic instability of the tautomeric configuration. We study the stability of A*-T* while the nucleobases undergo DNA strand separation. Our calculations indicate an increase in the stability of A*-T* as the DNA strands unzip and the hydrogen bonds between the bases stretch. Molecular Dynamics simulations reveal the time scales and dynamics of DNA strand separation and the statistical ensemble of opening angles present in a biological environment. Our results demonstrate that the unwinding of DNA, an inherently out-of-equilibrium process facilitated by helicase, will change the energy landscape of the adenine-thymine tautomerization reaction. We propose that DNA strand separation allows the stable tautomerization of adenine-thymine, providing a feasible pathway for genetic point mutations via proton transfer between the A-T bases.
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