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Article

Molecular dynamics simulations to investigate Mycobacterium tuberculosis DNA-gyrase-fluoroquinolone complexes.

Journal of molecular graphics & modelling - 1 Jul 2026

Lessigiarska Iglika, Alov Petko, Diukendjieva-Todorova Antonia, Pencheva Tania, Nikolova-Kejova Radostina, Tsakovska Ivanka, Pajeva Ilza

Abstract excerpt

The widespread use of fluoroquinolone antibiotics to treat Mycobacterium tuberculosis (Mtb) infections has led to a rise in fluoroquinolone-resistant Mtb strains, mainly due to specific mutations in the target DNAgyrase. To overcome this resistance and develop treatment alternatives, a deeper understanding of fluoroquinolone's mechanism of action is necessary. In this study we performed molecular dynamics (MD)...

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PMID: 41936326
DOI: 10.1016/j.jmgm.2026.109380

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026.

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