Published 2025-01-01
“…Consequently, targeting this enzyme is of particular interest in developing new drugs for the treatment of drug-resistant tuberculosis, including multidrug-resistant tuberculosis (MDR-TB) and
extensively drug-resistant tuberculosis (XDR-TB).MethodsIn the present study, multiple computational tools were adopted to screen a microbial-based natural products database (NPAtlas) for potential inhibitors of the ATPase activity of MBT DNA gyrase.Results and discussionTwelve hits were initially identified as the top candidates based on their docking scores (ranging from −9.491 to −10.77 kcal/mol) and binding free energies (−60.37 to −73.21 kcal/mol). …”
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