Structural highlights
Publication Abstract from PubMed
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 TS, Selleri S, Saleh Alfawaz Altamimi A, Supuran CT, Carta F Bioorg Chem. 2020 Feb 14;97:103669. doi: 10.1016/j.bioorg.2020.103669. PMID:32088421[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Angeli A, Peat TS, Selleri S, Saleh Alfawaz Altamimi A, Supuran CT, Carta F. X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX. Bioorg Chem. 2020 Feb 14;97:103669. doi: 10.1016/j.bioorg.2020.103669. PMID:32088421 doi:http://dx.doi.org/10.1016/j.bioorg.2020.103669
