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

Chem Commun (Camb)

Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093, USA.

Published: February 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).

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10008514PMC
http://dx.doi.org/10.1039/d2cc06596gDOI Listing

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