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Article

Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case.

Journal of medicinal chemistry - 9 Sept 2021

Mota Cristiano, Diniz Ana, Coelho Catarina, Santos-Silva Teresa, Esmaeeli Mariam, Leimkühler Silke, Cabrita Eurico J, Marcelo Filipa, Romão Maria João

Abstract excerpt

Human aldehyde oxidase (hAOX1) is mainly present in the liver and has an emerging role in drug metabolism, since it accepts a wide range of molecules as substrates and inhibitors. Herein, we employed an integrative approach by combining NMR, X-ray crystallography, and enzyme inhibition kinetics to understand the inhibition modes of three hAOX1 inhibitors-thioridazine, benzamidine, and raloxifene. These...

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PMID: 34415167
DOI: 10.1021/acs.jmedchem.1c01125

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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