Application of fragment screening and merging to the discovery of inhibitors of the Mycobacterium tuberculosis cytochrome P450 CYP121

Angew Chem Int Ed Engl. 2012 Sep 10;51(37):9311-6. doi: 10.1002/anie.201202544. Epub 2012 Aug 13.
No abstract available

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bacterial Proteins / antagonists & inhibitors*
  • Bacterial Proteins / metabolism
  • Binding Sites
  • Crystallography, X-Ray
  • Cyclohexanones / chemistry
  • Cytochrome P-450 Enzyme Inhibitors*
  • Cytochrome P-450 Enzyme System / metabolism
  • Drug Design
  • Drug Evaluation, Preclinical
  • Ligands
  • Mycobacterium tuberculosis / metabolism*
  • Protein Structure, Tertiary
  • Structure-Activity Relationship

Substances

  • Bacterial Proteins
  • Cyclohexanones
  • Cytochrome P-450 Enzyme Inhibitors
  • Ligands
  • cytochrome P-450 CYP121
  • cyclohexanone
  • Cytochrome P-450 Enzyme System