- 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...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1021/jm4011302
-
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- Journal:
- Journal of medicinal chemistry
- Volume:
- 56
- Issue:
- 20
- Pages:
- 8073-8088
- Publication date:
- 2013-10-05
- DOI:
- EISSN:
-
1520-4804
- ISSN:
-
0022-2623
- URN:
-
uuid:c7417786-f9d3-4a5c-98f6-d889eaa6c802
- Source identifiers:
-
431357
- Local pid:
- pubs:431357
- Copyright date:
- 2013
Journal article
Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening.
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