19F-Tagged metal binding pharmacophores for NMR screening of metalloenzymes.

Kathleen E Prosser Alysia J KohlbrandHyeonglim SeoMark Kalaj Seth M Cohen

Published in: Chemical communications (Cambridge, England) (2021)

This study demonstrates the screening of a collection of twelve 19F-tagged metal-binding pharmacophores (MBPs) against the Zn(ii)-dependent metalloenzyme human carbonic anhydrase II (hCAII) by 19F NMR. The isomorphous replacement of Zn(ii) by Co(ii) in hCAII produces enhanced sensitivity and reveals the potential of 19F NMR-based techniques for metalloenzyme ligand discovery.

Keyphrases

magnetic resonance
high resolution
solid state
endothelial cells
heavy metals
small molecule
binding protein
high throughput
induced pluripotent stem cells