Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors

Chung Hang Leung; Daniel Shiu Hin Chan; Maria Hiu Tung Kwan; Zhen Cheng; Chun Yuen Wong; Guo Yuan Zhu; David W F FONG; Edmond Dik Lung MA

doi:10.1002/cmdc.201100016

Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors

Chung Hang Leung^*, Daniel Shiu Hin Chan, Maria Hiu Tung Kwan, Zhen Cheng, Chun Yuen Wong, Guo Yuan Zhu, David W F FONG, Edmond Dik Lung MA

^*Corresponding author for this work

Research output: Contribution to journal › Journal article › peer-review

44 Citations (Scopus)

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.

Original language	English
Pages (from-to)	765-768
Number of pages	4
Journal	ChemMedChem
Volume	6
Issue number	5
DOIs	https://doi.org/10.1002/cmdc.201100016
Publication status	Published - 2 May 2011

Scopus Subject Areas

Biochemistry
Molecular Medicine
Pharmacology
Drug Discovery
Pharmacology, Toxicology and Pharmaceutics(all)
Organic Chemistry

User-Defined Keywords

Approved drugs
Drug discovery
Inhibitors
Tumor necrosis factor
Virtual screening

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10.1002/cmdc.201100016

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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.",

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AU - Wong, Chun Yuen

AU - Zhu, Guo Yuan

AU - FONG, David W F

AU - MA, Edmond Dik Lung

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AB - 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.

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Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors

Abstract

Scopus Subject Areas

User-Defined Keywords

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