Structure-Based Design of Highly Selective Inhibitors of the CREB Binding Protein Bromodomain

Structure-Based Design of Highly Selective Inhibitors of the CREB Binding Protein Bromodomain. Denny, R., A., Flick, A., C., Coe, J., Langille, J., Basak, A., Liu, S., Stock, I., Sahasrabudhe, P., Bonin, P., Hay, D., A., Brennan, P., E., Pletcher, M., Jones, L., H., & Chekler, E., L. Journal of Medicinal Chemistry, 60(13):5349-5363, 5, 2017.

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Chemical probes are required for preclinical target validation to interrogate novel biological targets and pathways. Selective inhibitors of the CREB binding protein (CREBBP)/EP300 bromodomains are required to facilitate the elucidation of biology associated with these important epigenetic targets. Medicinal chemistry optimization that paid particular attention to physiochemical properties delivered chemical probes with desirable potency, selectivity, and permeability attributes. An important feature of the optimization process was the successful application of rational structure-based drug design to address bromodomain selectivity issues (particularly against the structurally related BRD4 protein).

@article{
 title = {Structure-Based Design of Highly Selective Inhibitors of the CREB Binding Protein Bromodomain},
 type = {article},
 year = {2017},
 pages = {5349-5363},
 volume = {60},
 websites = {http://www.ncbi.nlm.nih.gov/pubmed/28375629},
 month = {5},
 day = {12},
 city = {United States},
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 last_modified = {2018-07-09T12:39:48.654Z},
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 authored = {true},
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 abstract = {Chemical probes are required for preclinical target validation to interrogate novel biological targets and pathways. Selective inhibitors of the CREB binding protein (CREBBP)/EP300 bromodomains are required to facilitate the elucidation of biology associated with these important epigenetic targets. Medicinal chemistry optimization that paid particular attention to physiochemical properties delivered chemical probes with desirable potency, selectivity, and permeability attributes. An important feature of the optimization process was the successful application of rational structure-based drug design to address bromodomain selectivity issues (particularly against the structurally related BRD4 protein).},
 bibtype = {article},
 author = {Denny, R. Aldrin and Flick, Andrew C. and Coe, Jotham and Langille, Jonathan and Basak, Arindrajit and Liu, Shenping and Stock, Ingrid and Sahasrabudhe, Parag and Bonin, Paul and Hay, Duncan A. and Brennan, Paul E. and Pletcher, Mathew and Jones, Lyn H. and Chekler, Eugene L.Piatnitski},
 doi = {10.1021/acs.jmedchem.6b01839},
 journal = {Journal of Medicinal Chemistry},
 number = {13}
}

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