Understanding the Origins of Bacterial Resistance to Aminoglycosides through Molecular Dynamics Mutational Study of the Ribosomal A-Site
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journal.pcbi.1002099.pdf (1.54 MB)
Date
2011-08-16
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PLOS
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Abstract
In hospitals throughout the world, aminoglycosidic antibiotics are used to combat even the most severe bacterial infections. However, the continuous emergence of resistant bacteria has created an urgent need to improve these antibiotics. Aminoglycosides bind to bacterial ribosomal RNA. Experiments have shown that specific point mutations in the RNA confer high resistance against aminoglycosides in bacteria. We performed molecular dynamics simulations of the aminoglycosidic binding site model after introducing various mutations. Here, we show that even single nucleotide substitutions can significantly change the physicochemical features of the binding site. In addition, we hypothesize why certain mutations result in bacterial resistance to aminoglycosides.
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Romanowska J, McCammon JA, Trylska J (2011) Understanding the Origins of Bacterial Resistance to Aminoglycosides through Molecular Dynamics Mutational Study of the Ribosomal A-Site. PLOS Computational Biology 7(7): e1002099. https://doi.org/10.1371/journal.pcbi.1002099