Dynamic Insights into DNA Conformational Changes and the Impact of Magnesium Ions on Topoisomerase IA Enzymes: A Molecular Dynamics Simulation Study

Author(s)	Muralidhar, Rakesh Kumar tiwari
Country	India
Abstract	Molecular dynamics simulations were employed to scrutinize the conformational changes in DNA strands and elucidate the influence of magnesium ions on Topoisomerase IA enzymes. Through the computation of Root Mean Square Deviation (RMSD), Root Mean Square Fluctuation (RMSF), hydrogen bond distances, dihedral angles, and Solvated Accessible Surface Area (SASA), we meticulously examined the structural dynamics. The results reveal intricate patterns of DNA strand alterations, showcasing the profound role of magnesium ions in modulating the behavior of Topoisomerase IA enzymes. This study contributes essential insights into the molecular mechanisms governing DNA conformational changes, offering a foundation for further understanding the biochemical intricacies of Topoisomerase IA enzyme function.
Keywords	Topoisomerase IA, MD simulations, DNA cleavage, genomic stability.
Field	Biology > Bio + Chemistry
Published In	Volume 6, Issue 1, January-February 2024
Published On	2024-02-05
Cite This	Dynamic Insights into DNA Conformational Changes and the Impact of Magnesium Ions on Topoisomerase IA Enzymes: A Molecular Dynamics Simulation Study - Muralidhar, Rakesh Kumar tiwari - IJFMR Volume 6, Issue 1, January-February 2024. DOI 10.36948/ijfmr.2024.v06i01.13091
DOI	https://doi.org/10.36948/ijfmr.2024.v06i01.13091
Short DOI	https://doi.org/gtg6pq

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