[1] Characteristic roadmap of linker governs the rational design of PROTACs [2] Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras [3] Impact of linker length on the activity of PROTACs.*声明：本文仅是介绍医药疾病领域研究进展或简述研究概况或分享医药相关讯息，并非也不会进行治疗...
当然，在实际设计中，往往还会遇到靶蛋白本身的内源性配体：多肽、DNA、糖链等，基于此也有相关的 p-PROTAC 被开发 (多肽-PROTAC)，笔者认为基于肽段的 PROTAC 可能是该项技术发展的一个方向：目前传统 PROTAC (小分子为主) 需要前期配体的构效关系研究以确定基础决定连接位置，但单纯用蛋白本身的多肽配体则不...
参考文献 [1] Characteristic roadmap of linker governs the rational design of PROTACs [2] Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras [3] Impact of linker length on the activity of PROTACs. *声明:本文仅是介绍医药疾病领域研究进展或简述研究概况或分享医药相关讯息,并非也不...
用于代理模型的代码可在GitHub上找到,网址为https://github.com/divnori/Protac-Design。 修改后的GraphINVENT源代码和生成的数据,包括预训练模型、微调模型和生成的结构,可在https://doi.org/10.5281/zenodo.7278277上找到。
进一步测试了一种主要候选药物，并在小鼠中证明了良好的药代动力学。这种深度学习和分子模拟的结合可以促进合理的 PROTAC 设计和优化。该研究以「Accelerated rational PROTAC design via deep learning and molecular simulations」为题，于 2022 年 9 月 15 日发布在《Nature Machine Intelligence》。自 2001 年首次...
[10] Paiva, Stacey-Lynn, and Craig M. Crews. "Targeted protein degradation: elements of PROTAC design. "Current opinion in chemical biology 50 (2019): 111- 119.[11] Kargbo, Robert B. "PROTAC degradation of IRAK4 for the treatment of cancer." ACS Medicinal Chemistry Letters 10.10 (...
通过本文所描述的专业领域之间的持续合作,期望能够通过开发处能够替代连接基团经验性质的方案来减少PROTAC的开发时间。 参考文献: Troy A. Bemis, James J. La Clair, and Michael D. Burkart* Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras. J. Med. Chem. 2021. 责任编辑:琉璃...
8. Bemis TA, La Clair JJ, Burkart MD. Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras. J Med Chem. 2021 Jun 24;64(12):8042-8052.
Characteristic roadmap of linker governs the rational design of PROTACs Yawen Dong, Tingting Ma, Ting Xu, Zhangyan Feng, Yonggui Li, Lingling Song, Xiaojun Yao*, Charles R. Ashby Jr.*, Ge-Fei Hao* Acta Pharm Sin B 2024. https://doi.org/10.1016/j.apsb.2024.04.007 ...
4. Itoh Y, Ishikawa M, Naito M, Hashimoto Y. Protein knockdown using methyl bestatin-ligand hybrid molecules: design and synthesis of inducers of ubiquitination-mediated degradation of cellular retinoic acid-binding proteins. J Am Chem Soc. 2010;132(16): 5820-5826.5. Ohoka N, Morita Y...