Front Cover: Rational Design and Identification of Harmine‐Inspired, N ‐Heterocyclic DYRK1A Inhibitors Employing a Functional Genomic In Vivo Drosophila Model System (ChemMedChem 4/2022)
Front Cover: Rational Design and Identification of Harmine‐Inspired, N ‐Heterocyclic DYRK1A Inhibitors Employing a Functional Genomic In Vivo Drosophila Model System (ChemMedChem 4/2022)
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封面：采用功能性基因组体内果蝇模型系统对 Harmine 启发的 N-杂环 DYRK1A 抑制剂进行合理设计和鉴定 (ChemMedChem 4/2022)
DOI：
10.1002/cmdc.202200066
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发表时间：
2022
期刊：
影响因子：
3.4
通讯作者：
Wiest, Olaf
中科院分区：
文献类型：
--
作者：
Huizar, Francisco J.;Hill, Harrison M.;Bacher, Emily P.;Eckert, Kaitlyn E.;Gulotty, Eva M.;Rodriguez, Kevin X.;Tucker, Zachary D.;Banerjee, Monimoy;Liu, Haining;Wiest, Olaf
封面展示了新型N-杂环DYRK 1A抑制剂的开发、测试和验证的组合方法。对DYRK 1A活性位点内的毒性DYRK 1A抑制剂去氢骆驼蓬碱的初步计算机研究启发了多种分子支架的产生。在体内模型生物体中证实了体外测试用于抑制DYRK 1A的支架。这项研究为未来研究与遗传性DYRK 1A失调相关的疾病的治疗提供了平台。封面设计：弗朗西斯科J. Huizar。更多信息可参见弗朗西斯科J. Huizar、Jeremiah Zartman、布兰登L. Ashfeld等人
The Front Cover shows the combinatorial approach of development, testing, and validation of novel N-heterocyclic DYRK1A inhibitors. An initial in silico investigation of the toxic DYRK1A inhibitor, harmine, within the active site of DYRK1A inspired generation of diverse molecular scaffolds. Scaffolds tested in vitro for inhibition of DYRK1A were substantiated in an in vivo model organism. This study serves as a platform for future investigations into treatments for disorders associated with genetic DYRK1A dysregulation. Cover design by Francisco J. Huizar. More information can be found in the Communication by Francisco J. Huizar, Jeremiah Zartman, Brandon L. Ashfeld et al.