Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII. Issue 40 (30th April 2019)

• Record Type: Journal Article
• Authors: Angeli, Andrea; Ferraroni, Marta; Nocentini, Alessio; Selleri, Silvia; Gratteri, Paola; Supuran, Claudiu T.; Carta, Fabrizio
• Is Part Of: Chemical communications. Volume 55:Issue 40(2019)
• Page Start: 5720
• Page End: 5723
• Publication Date: 2019-04-30
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c8cc09568j
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : Epacadostat (EPA ), a selective indoleamine-2, 3-dioxygenase 1 (IDO1) inhibitor, has been investigated in vitro as a human (h) Carbonic Anhydrase Inhibitor (CAI). Abstract : Epacadostat (EPA ), a selective indoleamine-2, 3-dioxygenase 1 (IDO1) inhibitor, has been investigated in vitro as a human (h) Carbonic Anhydrase Inhibitor (CAI). The kinetic data clearly show, for the first time, EPA to be a highly effective and selective inhibitor for the tumor-associated isoforms hCA IX/XII. We report the high resolution X-ray crystal structure of the EPA-hCA II adduct, and assessed its binding mode to CA IX/XII by means of computational techniques. EPA may exert antitumor effects also due to the potent inhibition of the tumor-associated CAs.