Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

Tankyrase 1 Inhibitors with Drug-like Properties Identified by Screening a DNA-Encoded Chemical Library

Samain, Florent ; Ekblad, Torun ; Mikutis, Gediminas ; Zhong, Nan ; Zimmermann, Mauro ; Nauer, Angela ; Bajic, Davor ; Decurtins, Willy ; Scheuermann, Jörg and Brown, Peter J , et al. (2015) In Journal of Medicinal Chemistry 58(12). p.9-5143
Abstract

We describe the synthesis and screening of a DNA-encoded chemical library containing 76230 compounds. In this library, sets of amines and carboxylic acids are directly linked producing encoded compounds with compact structures and drug-like properties. Affinity screening of this library yielded inhibitors of the potential pharmaceutical target tankyrase 1, a poly(ADP-ribose) polymerase. These compounds have drug-like characteristics, and the most potent hit compound (X066/Y469) inhibited tankyrase 1 with an IC50 value of 250 nM.

Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; ; and , et al. (More)
; ; ; ; ; ; ; ; ; ; ; ; ; and (Less)
publishing date
type
Contribution to journal
publication status
published
keywords
Amines/chemistry, Carboxylic Acids/chemistry, Enzyme Inhibitors/chemistry, Gene Library, Humans, Models, Molecular, Small Molecule Libraries/chemistry, Tankyrases/antagonists & inhibitors
in
Journal of Medicinal Chemistry
volume
58
issue
12
pages
7 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:84933059417
  • pmid:26061013
ISSN
1520-4804
DOI
10.1021/acs.jmedchem.5b00432
language
English
LU publication?
no
id
468476e5-6a7c-4be9-8376-d463d7dfa5d0
date added to LUP
2024-11-21 17:53:37
date last changed
2025-06-20 21:10:29
@article{468476e5-6a7c-4be9-8376-d463d7dfa5d0,
  abstract     = {{<p>We describe the synthesis and screening of a DNA-encoded chemical library containing 76230 compounds. In this library, sets of amines and carboxylic acids are directly linked producing encoded compounds with compact structures and drug-like properties. Affinity screening of this library yielded inhibitors of the potential pharmaceutical target tankyrase 1, a poly(ADP-ribose) polymerase. These compounds have drug-like characteristics, and the most potent hit compound (X066/Y469) inhibited tankyrase 1 with an IC50 value of 250 nM.</p>}},
  author       = {{Samain, Florent and Ekblad, Torun and Mikutis, Gediminas and Zhong, Nan and Zimmermann, Mauro and Nauer, Angela and Bajic, Davor and Decurtins, Willy and Scheuermann, Jörg and Brown, Peter J and Hall, Jonathan and Gräslund, Susanne and Schüler, Herwig and Neri, Dario and Franzini, Raphael M}},
  issn         = {{1520-4804}},
  keywords     = {{Amines/chemistry; Carboxylic Acids/chemistry; Enzyme Inhibitors/chemistry; Gene Library; Humans; Models, Molecular; Small Molecule Libraries/chemistry; Tankyrases/antagonists & inhibitors}},
  language     = {{eng}},
  month        = {{06}},
  number       = {{12}},
  pages        = {{9--5143}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Medicinal Chemistry}},
  title        = {{Tankyrase 1 Inhibitors with Drug-like Properties Identified by Screening a DNA-Encoded Chemical Library}},
  url          = {{http://dx.doi.org/10.1021/acs.jmedchem.5b00432}},
  doi          = {{10.1021/acs.jmedchem.5b00432}},
  volume       = {{58}},
  year         = {{2015}},
}