Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement.

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Leban J, Saeb W, Garcia G, Baumgartner R, Kramer B

Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement.

Bioorg Med Chem Lett. 2004 Jan 5;14(1):55-8.

PubMed ID

14684297 [ View in PubMed

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Abstract

A novel series of DHODH inhibitors was developed based on a lead which was obtained by a docking procedure and a medicinal chemistry exploration. The activity of the initial lead was improved by a QSAR method to yield low nanomolar inhibitors.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID	Dihydroorotate dehydrogenase (quinone), mitochondrial	IC 50 (nM)	33	N/A	N/A	Details