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; Wang-Fun Fong; 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
, Wang-Fun Fong
, Dik-Lung Ma

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

45 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. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Research Keywords

Approved drugs
Drug discovery
Inhibitors
Tumor necrosis factor
Virtual screening

Access Output

10.1002/cmdc.201100016

Other Access Options

Check CityUHK Library

Permanent Link

Right click to copy link

Cite this

@article{447315783c3742eba1f2d5a98d4259f9,

title = "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. {\textcopyright} 2011 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim.",

keywords = "Approved drugs, Drug discovery, Inhibitors, Tumor necrosis factor, Virtual screening",

author = "Chung-Hang Leung and Chan, \{Daniel Shiu-Hin\} and Kwan, \{Maria Hiu-Tung\} and Zhen Cheng and Chun-Yuen Wong and Guo-Yuan Zhu and Wang-Fun Fong and Dik-Lung Ma",

year = "2011",

month = may,

day = "2",

doi = "10.1002/cmdc.201100016",

language = "English",

volume = "6",

pages = "765--768",

journal = "ChemMedChem",

issn = "1860-7179",

publisher = "John Wiley \& Sons",

number = "5",

}

TY - JOUR

T1 - Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors

AU - Leung, Chung-Hang

AU - Chan, Daniel Shiu-Hin

AU - Kwan, Maria Hiu-Tung

AU - Cheng, Zhen

AU - Wong, Chun-Yuen

AU - Zhu, Guo-Yuan

AU - Fong, Wang-Fun

AU - Ma, Dik-Lung

PY - 2011/5/2

Y1 - 2011/5/2

N2 - 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.

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. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

KW - Approved drugs

KW - Drug discovery

KW - Inhibitors

KW - Tumor necrosis factor

KW - Virtual screening

UR - https://www.scopus.com/pages/publications/79955032758

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-79955032758&origin=recordpage

U2 - 10.1002/cmdc.201100016

DO - 10.1002/cmdc.201100016

M3 - RGC 21 - Publication in refereed journal

C2 - 21365767

SN - 1860-7179

VL - 6

SP - 765

EP - 768

JO - ChemMedChem

JF - ChemMedChem

IS - 5

ER -

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

Abstract

Research Keywords

Access Output

Other Access Options

Permanent Link

Other Files and Links

Fingerprint

Cite this