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

Fig 10

Number of H-bonds for PubChem-155-924-621, PubChem-127-032-794, PubChem-155-923-972, and PBTZ169 complexed with DprE1 enzyme during the 100 ns MD simulations.

Fig 10

doi: https://doi.org/10.1371/journal.pone.0314422.g010