research article
Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors
Abstract
Old dogs, new tricks! We applied structure-based virtual screening methods to identify small-molecule inhibitors of tumor necrosis factor-α (TNF-α) from a database of 3000 US Food and Drug Administration (FDA)-approved drugs. Darifenacin (Enablex) and ezetimibe (Zetia) were identified as direct TNF-α inhibition, representing only the fifth and sixth examples of small-molecule TNF-α inhibitors. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.link_to_subscribed_fulltex- Article
- Approved drugs
- Drug discovery
- Inhibitors
- Tumor necrosis factor
- Virtual screening
- Binding Sites
- Computer Simulation
- Databases, Factual
- Drug Approval
- Drug Design
- High-Throughput Screening Assays
- Small Molecule Libraries - Chemistry
- Tumor Necrosis Factor-Alpha - Antagonists & Inhibitors - Metabolism
- United States
- United States Food And Drug Administration
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This paper was published in HKU Scholars Hub.
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