1. X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
- Author
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Angeli, Andrea, Peat, Thomas S., Selleri, Silvia, Saleh Alfawaz Altamimi, Abdulmalik, Supuran, Claudiu T., and Carta, Fabrizio
- Subjects
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CARBONIC anhydrase , *X-ray crystallography , *INDOLEAMINE 2,3-dioxygenase , *SMALL molecules , *CARBONIC anhydrase inhibitors - Abstract
• The X-ray crystallography of EPA-hCA IX mimic adduct is reported. • The binding mode of EPA within the hCA IX mimic is deciphered. • New persepectives for the anticancer properties of EPA are demonstrated. Epacadostat (EPA), a new and promising anti-cancer small molecule is firmly established as selective inhibitor of the enzyme indoleamine 2,3-dioxygenase 1 (IDO1). The X-Ray structure of the human CA IX mimic in complex with EPA is investigated here for the first time and compared to previously reported EPA-CA II adduct. The structural information obtained are all in agreement with the in vitro kinetic data which accounted for a selective inhibition of the CA IX over the CA II isoform. [ABSTRACT FROM AUTHOR]
- Published
- 2020
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