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Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.

Hyeonglim SeoAlysia J KohlbrandRyjul W StokesJeewon ChungSeth M Cohen
Published in: Chemical communications (Cambridge, England) (2023)
Thioamides, thioureas, and thiocarbamates are introduced as stable, sulfur-based metal-binding pharmacophores (MBPs) for use in metalloenzyme fragment-based drug discovery (mFBDD). MBP reactivity, bioactivity, and structural studies show that these molecules can act as ligands for Zn(II)-dependent metalloenzymes including human carbonic anhydrase II (hCAII) and matrix metalloproteinase-2 (MMP-2).
Keyphrases
  • drug discovery
  • endothelial cells
  • induced pluripotent stem cells
  • pluripotent stem cells
  • case control
  • risk assessment
  • binding protein
  • transcription factor