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Literature summary extracted from

  • Sam, J.; Sharmila, J.
    Molecular docking of benzoxazolone and its derivatives against Staphylococcus aureus biotin protein ligase (2015), Int. J. Pharm. Sci. Rev. Res., 32, 72-76 .
No PubMed abstract available

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
6.3.4.15 molecular docking of benzoxazolone derivatives in the active site region. Presence of a functional group attached either to the benzene ring or to the pyrole ring incresases binding efficacy Staphylococcus aureus

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.3.4.15 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-phenylpropanamide inhibitor identified by molecular docking, glide score -7.49, glide energy -40.64 kcal/mol Staphylococcus aureus
6.3.4.15 N-(2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide inhibitor identified by molecular docking, glide score -7.34, glide energy -37.68 kcal/mol Staphylococcus aureus

Organism

EC Number Organism UniProt Comment Textmining
6.3.4.15 Staphylococcus aureus
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