Discovery of novel DprE1 inhibitors via computational bioactivity fingerprints and structure-based virtual screening.
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DOI: 10.1038/s41401-021-00779-1
Abstract: Decaprenylphosphoryl-β-D-ribose oxidase (DprE1) plays important roles in the biosynthesis of mycobacterium cell wall. DprE1 inhibitors have shown great potentials in the development of new regimens for tuberculosis (TB) treatment. In this study, an integrated molecular… read more here.
Keywords: dpre1 inhibitors; fingerprints structure; dpre1; bioactivity fingerprints ... See more keywords