Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold
文献类型：期刊论文
| 作者 | Lu, Haibo6,8; Lu, Tian5,6; Zu, Shijia2,6; Duan, Zhe4,6; Guang, Yiman2,6; Li, Qi6; Ma, Jingyi2,3; Chen, Dongying2,3 ; Li, Bo6; Lu, Wenchao1
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| 刊名 | BIOORGANIC CHEMISTRY
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| 出版日期 | 2022-06-01 |
| 卷号 | 123页码:12 |
| 关键词 | CECR2 bromodomain BPTF bromodomain Small-molecule inhibitor SAR study Chemical probe |
| ISSN号 | 0045-2068 |
| DOI | 10.1016/j.bioorg.2022.105768 |
| 通讯作者 | Ye, Deyong(dyye@shmu.edu.cn) ; Chen, Kaixian(kxchen@simm.ac.cn) ; Lin, Hua(hlin@fjnu.edu.cn) |
| 英文摘要 | 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 IC50 of 8.0 & PLUSMN; 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-CBi22 would serve as a useful chemical probe for the study of CECR2. |
| WOS关键词 | HISTONE ; BIOLOGY ; COMPLEX ; LIGAND ; FORMS |
| 资助项目 | scientific research innovation program Xiyuanjiang River Scholarship of College of Life Sciences, Fujian Normal University ; State Key Laboratory of Drug Research[SIMM2105KF-07] ; Fujian Provincial Natural Science Foundation[2021J01203] ; National Natural Science Foundation of China[81625022] ; National Natural Science Foundation of China[91853205] ; National Natural Science Foundation of China[81821005] ; National Natural Science Foundation of China[32000915] ; National Natural Science Foundation of China[21820102008] ; Science and Technology Commission of Shanghai Municipality[18431907100] ; Science and Technology Commission of Shanghai Municipality[Y811298033] ; Science and Technology Commission of Shanghai Municipality[19XD1404700] |
| WOS研究方向 | Biochemistry & Molecular Biology ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000792922300003 |
| 出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/300989]  |
| 专题 | 新药研究国家重点实验室 |
| 通讯作者 | Ye, Deyong; Chen, Kaixian; Lin, Hua |
| 作者单位 | 1.Stanford Univ, Stanford Canc Inst, Stanford Sch Med, Stanford, CA 94305 USA 2.Univ Chinese Acad Sci, 19 Yuquan Rd, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Mat Med, Lab Pharmaceut Anal, 555 Zuchongzhi Rd,Zhangjiang Hitech Pk, Shanghai 201203, Peoples R China 4.Nanchang Univ, Sch Pharm, Nanchang 330006, Jiangxi, Peoples R China 5.GuiZhou Univ Tradit Chinese Med, Guiyang 550025, Guizhou, Peoples R China 6.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, 555 Zuchongzhi Rd, Shanghai 201203, Peoples R China 7.Fujian Normal Univ, Coll Life Sci, Biomed Res Ctr South China, Fuzhou 350117, Peoples R China 8.Fudan Univ, Sch Pharm, 826 Zhangheng Rd, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 |
Lu, Haibo,Lu, Tian,Zu, Shijia,et al. Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold [J]. BIOORGANIC CHEMISTRY,2022,123:12. |
| APA |
Lu, Haibo.,Lu, Tian.,Zu, Shijia.,Duan, Zhe.,Guang, Yiman.,...&Lin, Hua.(2022). Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold .BIOORGANIC CHEMISTRY,123,12. |
| MLA |
Lu, Haibo,et al." Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold ".BIOORGANIC CHEMISTRY 123(2022):12. |
入库方式： OAI收割
来源：上海药物研究所
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