Journal article
Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening.
- Abstract:
-
Bromodomains (BRDs) are epigenetic readers that recognize acetylated-lysine (KAc) on proteins and are implicated in a number of diseases. We describe a virtual screening approach to identify BRD inhibitors. Key elements of this approach are the extensive design and use of substructure queries to compile a set of commercially available compounds featuring novel putative KAc mimetics and docking this set for final compound selection. We describe the validation of this approach by applying it to...
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- Publication status:
- Published
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- Publisher copy:
- 10.1021/jm4011302
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Authors
Bibliographic Details
- Journal:
- Journal of medicinal chemistry
- Volume:
- 56
- Issue:
- 20
- Pages:
- 8073-8088
- Publication date:
- 2013-10-01
- DOI:
- EISSN:
-
1520-4804
- ISSN:
-
0022-2623
- Source identifiers:
-
431357
Item Description
- Language:
- English
- Keywords:
- Pubs id:
-
pubs:431357
- UUID:
-
uuid:c7417786-f9d3-4a5c-98f6-d889eaa6c802
- Local pid:
- pubs:431357
- Deposit date:
- 2013-11-16
Terms of use
- Copyright date:
- 2013
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