Theoretical Studies on Selectivity of HPK1/JAK1 Inhibitors by Molecular Dynamics Simulations and Free Energy Calculations

Hematopoietic progenitor kinase 1 (HPK1) is a negative regulator of T cell receptor, which has been regarded as a potential target for immunotherapy. Yu et al. observed the off-target effect of the high-throughput screening HPK1 kinase inhibitor hits on JAK1 kinase. The off-target effect is usually...

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Detalles Bibliográficos
Autores principales: Ge, Huizhen, Tang, Chunchao, Pan, Yiting, Yao, Xiaojun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9916865/
https://www.ncbi.nlm.nih.gov/pubmed/36768974
http://dx.doi.org/10.3390/ijms24032649

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9916865/
https://www.ncbi.nlm.nih.gov/pubmed/36768974
http://dx.doi.org/10.3390/ijms24032649

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