Discovery of Novel 11β-HSD1 Inhibitors by Pharmacophore-Based Virtual Screening

The 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme is involved in modulation of glucocorticoid activity within target tissues. This enzyme may contribute to obesity and/or metabolic disease through its action in adipose or liver tissue. Inhibition of 11β-HSD1 has major therapeutic potenti...

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Bibliographic Details
Published in:Bulletin of the Korean Chemical Society 2012, 33(7), , pp.2365-2368
Main Authors: Kim, Nam-Doo, Lee, Youn-Ho, Han, Chang-Kyun, Ahn, Soon-Kil
Format: Article
Language:English
Subjects:
화학
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Summary:The 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme is involved in modulation of glucocorticoid activity within target tissues. This enzyme may contribute to obesity and/or metabolic disease through its action in adipose or liver tissue. Inhibition of 11β-HSD1 has major therapeutic potential for glucocorticoidassociated diseases, including obesity, diabetes (wound healing), and muscle atrophy. To develop such therapeutics, we performed a pharmacophore-based virtual screening (VS) for identification of novel 11β-HSD1 inhibitors and found that the VS hit compounds show potent inhibition of 11β-HSD1 enzyme activity. Further, we present a binding model for active compounds. The proposed pharmacophore may serve as a useful guideline for future design of new chemical entities as 11β-HSD1-targeted antidiabetic agents. KCI Citation Count: 1
ISSN:0253-2964
1229-5949
DOI:10.5012/bkcs.2012.33.7.2365