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.
X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX / Angeli A.; Peat T.S.; Selleri S.; Saleh Alfawaz Altamimi A.; Supuran C.T.; Carta F.. - In: BIOORGANIC CHEMISTRY. - ISSN 0045-2068. - ELETTRONICO. - 97:(2020), pp. 103669-103669. [10.1016/j.bioorg.2020.103669]
X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX
Angeli A.;Selleri S.;Supuran C. T.;Carta F.
2020
Abstract
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.
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