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Structure-activity relationships of human AKR-type oxidoreductases involved in bile acid synthesis: AKR1D1 and AKR1C4.

Abstract:

Two members of the human aldo-keto reductase (AKR) superfamily participate in the biosynthesis of bile acids by catalyzing the NADP(H) dependent reduction of 3-keto groups (AKR1C4) and Delta4 double bonds (AKR1D1) of oxysterol precursors. Structure determination of human AKR1C4 and homology modelling of AKR1D1 followed by docking experiments were used to explore active site geometries. Substrate docking resulted in ligand poses satisfying catalytic constraints, and indicates a critical role f...

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Publication status:
Published

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Publisher copy:
10.1016/j.mce.2008.09.042

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Journal:
Molecular and cellular endocrinology
Volume:
301
Issue:
1-2
Pages:
199-204
Publication date:
2009-03-05
DOI:
EISSN:
1872-8057
ISSN:
0303-7207
URN:
uuid:2f68ebce-98f4-4806-b854-e43022ccc621
Source identifiers:
34486
Local pid:
pubs:34486

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