| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1393322 | European Journal of Medicinal Chemistry | 2009 | 5 Pages |
Abstract
Structure-based pharmacophore models were built by using LigandScout and used for virtual screening of the SPECS database to identify new potential 11β-HSD1 inhibitors. As a refinement of the results obtained from virtual 3D pharmacophore screening, the best fitting virtual hits were subjected to docking study. The resulting compounds were tested in an enzyme assay and revealed several compounds with novel scaffolds that show sub-micromolar activity and high selectivity for 11β-HSD1 against 11β-HSD2.
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Related Topics
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Organic Chemistry
Authors
Huaiyu Yang, Yu Shen, Junhua Chen, Qunfeng Jiang, Ying Leng, Jianhua Shen,