Indoleamine 2,3-dioxygenase 1 (IDO1) catalyzes the rate-limiting step in the kynurenine pathway of tryptophan metabolism, which is involved in immunity, neuronal function, and aging. Its implication in pathologies such as cancer and neurodegenerative diseases led to substantial efforts to modulate IDO1 therapeutically. Negative phase III clinical trial results of the IDO1 inhibitor epacadostat in cancer immunotherapy called for a better understanding of the role and the mechanisms of IDO1 inhibition.<br/>Using density functional theory calculations, X-ray crystallography, and UV/Vis absorption spectroscopy, we investigated the molecular inhibition mechanisms of four known IDO1 inhibitors in detail. Based on our results and a comprehensive literature overview, we recently proposed a global classification scheme for IDO1 inhibitors, which will foster further developments in the field.

Inhibition mechanisms of indoleamine 2,3-dioxygenase 1 (IDO1)

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.