封面：作为多种脑癌潜在治疗药物的新型异位EYA2抑制剂的合理设计（ChemMedChem 18/2024）

IF 3.6 4区医学 Q2 CHEMISTRY, MEDICINAL

ChemMedChem Pub Date : 2024-09-16 DOI:10.1002/cmdc.202481801

Lukas Gardner, John Rossi, Brock Armstrong, Mia Muse, Alex LaVeck, Melanie A. Blevins, Lingdi Zhang, Dr. Heide L. Ford, Dr. Rui Zhao, Dr. Xiang Wang

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引用次数: 0

摘要

蛋白质-配体对接模拟显示 EYA2 与新型抑制剂之间的氢键（绿色）和 Pi-Pi 堆叠（青色）。这项研究发现了几种新的相互作用，与之前的先导类似物相比，其效力提高了 30 倍。该系列中的许多类似物扩展了我们对蛋白质与潜在抑制剂之间有益相互作用的了解。这一系列新的抑制剂为治疗包括胶质母细胞瘤和髓母细胞瘤在内的多种癌症提供了进一步的见解。更多详情请见 Heide L. Ford、Rui Zhao、Xiang Wang 及合作者撰写的文章 10.1002/cmdc.202400179。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Front Cover: Rational Design of Novel Allosteric EYA2 Inhibitors as Potential Therapeutics for Multiple Brain Cancers (ChemMedChem 18/2024)

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Front Cover: Rational Design of Novel Allosteric EYA2 Inhibitors as Potential Therapeutics for Multiple Brain Cancers (ChemMedChem 18/2024)

Protein-ligand docking simulation showing hydrogen bonding in green and Pi-Pi stacking in cyan between EYA2 and a novel inhibitor. Several new interactions are found in this study leading to >30-fold increase of potency relative to the previous lead analog. Many analogs in the series expanded our knowledge on beneficial interactions between the protein and potential inhibitors. This new series of inhibitors provides further insight into treatment of many cancer lines including Glioblastoma and Medulloblastoma. More details can be found in article 10.1002/cmdc.202400179 by Heide L. Ford, Rui Zhao, Xiang Wang, and co-workers.

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来源期刊

ChemMedChem 医学-药学

CiteScore

6.70

自引率

2.90%

发文量

280

审稿时长

1 months

期刊介绍： Quality research. Outstanding publications. With an impact factor of 3.124 (2019), ChemMedChem is a top journal for research at the interface of chemistry, biology and medicine. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemMedChem publishes primary as well as critical secondary and tertiary information from authors across and for the world. Its mission is to integrate the wide and flourishing field of medicinal and pharmaceutical sciences, ranging from drug design and discovery to drug development and delivery, from molecular modeling to combinatorial chemistry, from target validation to lead generation and ADMET studies. ChemMedChem typically covers topics on small molecules, therapeutic macromolecules, peptides, peptidomimetics, and aptamers, protein-drug conjugates, nucleic acid therapies, and beginning 2017, nanomedicine, particularly 1) targeted nanodelivery, 2) theranostic nanoparticles, and 3) nanodrugs. Contents ChemMedChem publishes an attractive mixture of: Full Papers and Communications Reviews and Minireviews Patent Reviews Highlights and Concepts Book and Multimedia Reviews.