TPDdb:针对蛋白质降解剂的综合数据库
Xinran Qin1,2, Yinpeng Zhang3,4, Yajunzi Wang1,2
1Wisdom Lake Academy of Pharmacy, Xi'an Jiaotong-Liverpool University, Suzhou 215123, China.
Nucleic acids research
|October 15, 2025
概括
向蛋白质降解剂 (TPDs) 提供了一个新的治疗策略. 一个新的数据库,TPDdb,全面目录TPDs,其属性和活动,帮助药物发现的无毒目标.
科学领域:
- 药用化学 医学化学
- 药物发现 药物发现 药物发现
- 生物化学 生物化学
背景情况:
- 向蛋白质降解剂 (TPDs) 是药物开发的重大进展,使得以前被认为是无法治疗的疾病相关蛋白质的降解成为可能.
- 由于TPD研究的快速增长,需要一个集中资源来获取有关这些新型治疗方法的信息.
研究的目的:
- 开发和介绍TPDdb,一个针对向蛋白质降解剂的综合数据库.
- 提供一个独特的资源,拥有最大的TPD集合,包括分子粘剂,PROTACs,LYTACs,ATTECs,AUTOTACs和AUTACs.
主要方法:
- 来自各种来源的数据汇编,以创建一个全面的TPD数据库.
- 包括结构和物理化学性质,生物活动 (IC50,DC50,Dmax) 和相关细胞系.
- 整合TPD,蛋白,酶和实验确定三元复合体的结构信息.
主要成果:
- TPDdb包含一个广泛的集合:6002个分子,22183个PROTAC,249个LYTAC,169个ATTEC,29个AUTOTAC和23个AUTAC.
- 该数据库涵盖了580种感兴趣的蛋白质和274种疾病,在201个细胞系中记录了27,796种活动.
- 提供了TPD,蛋白,酶和三元复合体的结构数据.
结论:
- TPDdb是针对蛋白质降解领域的研究人员的无与伦比的资源.
- 数据库有助于对TPD进行探索,以便对各种疾病进行治疗.
- 在https://idrblab.org/TPDdb/的TPDdb可访问性促进了TPD药物发现的进一步研究和创新.
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