Department of Chemistry
Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors
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.
Approved drugs, Drug discovery, Inhibitors, Tumor necrosis factor, Virtual screening
Source Publication Title
Link to Publisher's Edition
Leung, Chung-Hang, Daniel Shiu-Hin Chan, Maria Hiu-Tung Kwan, Zhen Cheng, Chun-Yuen Wong, Guo-Yuan Zhu, Wang-Fun Fong, and Dik-Lung Ma. "Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors." ChemMedChem 6.5 (2011): 765-768.