AI Article Synopsis
- CECR2 bromodomain is a key part of the CERF chromatin remodeling complex, influencing gene expression and chromatin structure.
- Researchers developed a series of inhibitors targeting the CECR2 BRD using a 7H-pyrrolo[2,3-d] pyrimidine framework, guided by molecular docking studies.
- The most effective inhibitor identified, DC-CBi-22, shows a strong potency with an IC of 8.0 ± 1.4 nM and is significantly selective over a related protein, making it a valuable tool for future CECR2 research.
Article Abstract
Cat eye syndrome chromosome region candidate 2 (CECR2) bromodomain is a module of CECR2-containing remodeling factor (CERF), which is a chromatin remodeling complex correlating with transcriptional control and adjustment of chromatin architecture. Potent chemical probes would be beneficial to gain insights into the biochemical and pharmacological functions of CECR2 BRD. Herein, we report the discovery of a series of CECR2 BRD inhibitors with 7H-pyrrolo[2,3-d] pyrimidine scaffold based on molecular docking model of TP-248 and CECR2 BRD. The most potent inhibitor of this series, DC-CBi-22 with IC of 8.0 ± 1.4 nM against CECR2 BRD and selectivity over BPTF BRD up to 24.9-fold. The SARs were detailed according to molecular docking. DC-CBi-22 would serve as a useful chemical probe for the study of CECR2.
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| http://dx.doi.org/10.1016/j.bioorg.2022.105768 | DOI Listing |
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