Recent advances of dpre1 inhibitors against mycobacterium tuberculosis: computational analysis of physicochemical and admet properties

HIGHLIGHTS

  • who: Patru00edcia S. M. Amado and colleagues from the (UNIVERSITY) have published the article: Recent Advances of DprE1 Inhibitors against Mycobacterium tuberculosis: Computational Analysis of Physicochemical and ADMET Properties, in the Journal: (JOURNAL) of August/19,/2022
  • what: The analysis shows that increasing HBA/HBD for noncovalent inhibitors can be a strategy to increase potency by increasing a stronger binding via H-bonding on the binding_site rather than increasing lipophilicity (C log P values were found to be not statistically significant in the noncovalent set). The analysis described above indicates that, for inactive covalent DprE1 . . .

     

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