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Developing C2-Aroyl Indoles as Novel Inhibitors of IDO1 and Understanding Their Mechanism of Inhibition via Mass Spectroscopy, QM/MM Calculations and Molecular Dynamics Simulation

Indoleamine-2,3-dioxygenase (IDO1) and tryptophan dioxygenases are two heme based metalloenzymes that catalyze the tryptophan oxidation reaction by inserting molecular dioxygen to cleave the pyrrole ring. The mechanism of such ring cleavage reaction is of carcinogenic importance as the malignant tum...

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Detalles Bibliográficos
Autores principales:	Chauhan, Jyoti, Maddi, Srinivas R., Dubey, Kshatresh Dutta, Sen, Subhabrata
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8319603/ https://www.ncbi.nlm.nih.gov/pubmed/34336787 http://dx.doi.org/10.3389/fchem.2021.691319

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