Benzothiazinone analogs as Anti-Mycobacterium tuberculosis DprE1 irreversible inhibitors: Covalent docking, validation, and molecular dynamics simulations.

Benzothiazinone analogs as Anti-Mycobacterium tuberculosis DprE1 irreversible inhibitors: Covalent docking, validation, and molecular dynamics simulations.

Mycobacterium tuberculosis is a lethal human pathogen, with the key flavoenzyme for catalyzing bacterial cell-wall biosynthesis, decaprenylphosphoryl-D-ribose oxidase (DprE1), considered an Achilles heal for tuberculosis (TB) progression. Inhibition of DprE1 blocks cell wall biosynthesis and is a hi...

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Main Authors: Mahmoud A A Ibrahim, Doaa G M Mahmoud, Alaa H M Abdelrahman, Khlood A A Abdeljawaad, Gamal A H Mekhemer, Tamer Shoeib, Mohamed A El-Tayeb, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2024-01-01
Series:PLoS ONE
Online Access:https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0314422&type=printable
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https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0314422&type=printable

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