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).
H. Seo, A. J. Kohlbrand, R. W. Stokes, J. Chung and S. M. Cohen, Chem. Commun., 2023, 59, 2283 DOI: 10.1039/D2CC06596G
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