Title:

Assessing Structural Perturbations in Chemically Modified tRNA

Transfer RNA (tRNA) plays a crucial role in protein synthesis, with its conformation and stability tightly regulated by post-transcriptional chemical modifications. While modifications in regions such as the anticodon loop and the acceptor arm have been extensively characterized, the structural effects of core-region modifications remain underexplored. In this study, we used all-atom molecular dynamics (MD) simulations to investigate the impact of three core modifications: 7-methylguanosine (m⁷G46), 1-methyladenosine (m¹A58), and 5-methylcytosine (m⁵C49) in yeast tRNA. Our findings show that individual modifications, particularly m⁷G46, enhance global structural stability, anti-correlated motions of tRNA arms, and allosteric pathways of communication between distal residues. These results highlight the critical role of core-region methylations in modulating tRNA conformations, with potential implications for translational fidelity and cellular regulation.

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