Target based structural optimization of substituted pyrazolopyrimidine analogues as inhibitor for IRAK4 by 3D-QSAR and molecular simulation-Reference-Cited by-同舟云学术

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Target based structural optimization of substituted pyrazolopyrimidine analogues as inhibitor for IRAK4 by 3D-QSAR and molecular simulation

Published:2022-03-10 Issue:3 Volume:33 Page:921-934
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Zhao Linan,Fu Le,Li Guangping,Shen Yan,Hu Yong,Chen Yan,Wang Yuanqiang

Funder

Chongqing Municipal Education Commission

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

https://link.springer.com/content/pdf/10.1007/s11224-022-01907-1.pdf

Reference51 articles.

1. Seganish WM (2016) Inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4): a patent review (2012–2015). Expert Opin Ther Pat 26:917–932. https://doi.org/10.1080/13543776.2016.1202926

2. Dudhgaonkar S, Ranade S, Nagar J et al (2017) Selective IRAK4 inhibition attenuates disease in murine lupus models and demonstrates steroid sparing activity. J Immunol 198(3):1308-1319

3. Smith GF, Altman MD, Andresen B et al (2017) Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg Med Chem Lett 27:2721–2726. https://doi.org/10.1016/j.bmcl.2017.04.050

4. Bryan MC, Drobnick J, Gobb A et al (2019) Development of potent and selective pyrazolopyrimidine IRAK4 inhibitors. J Med Chem 62:6223–6240

5. Rajapaksa NS, Gobbi A, Drobnick J et al (2020) Discovery of potent benzolactam IRAK4 inhibitors with robust in vivo activity. ACS Med Chem Lett 11:327–333. https://doi.org/10.1021/acsmedchemlett.9b00380

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Construction of IRAK4 inhibitor activity prediction model based on machine learning;Molecular Diversity;2024-07-06

2. Structural optimization of pyrrolopyrimidine BTK inhibitors based on molecular simulation;Journal of Molecular Modeling;2023-11-11

3. QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme;Structural Chemistry;2023-01-20

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