Publication: Design, synthesis and biological activity of selective hCAs inhibitors based on 2-(benzylsulfinyl)benzoic acid scaffold.
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Date
2019-12-01
Authors
Authors
De, Filippis
Rotondi, G
Guglielmi, P
De, Monte
Secci, D
Supuran, CT
Maccallini, C
Amoroso, R
Cirilli, R
Angeli, A
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Abstract
A large library of derivatives based on the scaffold of 2-(benzylsulfinyl)benzoic acid were synthesised and
tested as atypical inhibitors against four different isoforms of human carbonic anhydrase (hCA I, II, IX and
XII, EC 4.2.1.1). The exploration of the chemical space around the main functional groups led to the discovery of selective hCA IX inhibitors in the micromolar/nanomolar range, thus establishing robust structure-activity relationships within this versatile scaffold. HPLC separation of some selected chiral
compounds and biological evaluation of the corresponding enantiomers was performed along with
molecular modelling studies on the most active derivatives.
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Citation
Rotondi G., Guglielmi P., Carradori S., Secci D., De M., De F., Maccallini C., Amoroso R., Cirilli R., Akdemir A., et al., -Design, synthesis and biological activity of selective hCAs inhibitors based on 2-(benzylsulfinyl)benzoic acid scaffold.-, Journal of enzyme inhibition and medicinal chemistry, cilt.34, ss.1400-1413, 2019