MolGlueDB:一个分子的在线数据库
Xiao Wang1,2, Zhiyao Zhuang1, Chengwei Zhang1
1Key Laboratory of Marine Drugs, Chinese Ministry of Education, School of Medicine and Pharmacy, Ocean University of China, Qingdao, Shandong 266003, China.
Nucleic acids research
|August 22, 2025
概括
MolGlueDB是分子降解剂 (MGD) 的新数据库,提供了针对蛋白质降解的见解. 这种资源有助于合理设计MGD以加速药物发现.
科学领域:
- 药物发现和开发
- 分子生物学
- 医学化学
背景情况:
- 分子粘合降解剂 (MGD) 和向蛋白解的仿真体 (PROTAC) 是向蛋白降解的关键策略.
- 与PROTAC相比,MGD在类似药物的特性方面具有优势,因为它们的结构紧,单系.
- 尽管取得了进展,但由于新的机制和复杂的设计,MGD开发仍面临挑战.
研究的目的:
- 创建MolGlueDB,一个MGD的开放数据库.
- 整合科学文献中的MGD综合数据.
- 促进合理设计和加速针对蛋白质降解的药物发现.
主要方法:
- 来自241个出版物的汇编数据 (2001年1月至2025年5月).
- 开发了一个基于文本和基于结构的搜索功能的网络平台.
- 包括化学结构,结合性,降解能力,生物活性和物理化学性能的数据.
主要成果:
- MolGlueDB包含1840个条目,包括1629个不同的MGD,28个招募蛋白和94个目标.
- 该数据库整合了化学结构,亲属性,降解,生物活性和特性数据.
- 该平台允许用户通过特定的分子属性来改进搜索.
结论:
- 对于针对蛋白质降解的研究人员来说,MolGlueDB是一个宝贵的资源.
- 该数据库支持MGD的合理设计,加速药物发现工作.
- 在https://www.molgluedb.com上访问,MolGlueDB促进MGD研究的进步.
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