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The Inhibitory Mechanism of 7H-Pyrrolo[2,3-d]pyrimidine Derivatives as Inhibitors of P21-Activated Kinase 4 through Molecular Dynamics Simulation

The overexpression of p21-activated kinase 4 (PAK4) is associated with a variety of cancers. In this paper, the binding modes and inhibitory mechanisms of four 7H-pyrrolo[2,3-d]pyrimidine competitive inhibitors of PAK4 were investigated at the molecular level, mainly using molecular dynamics simulat...

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Detalles Bibliográficos
Autores principales:	Du, Juan, Wang, Song, Zhang, Xinyue, Liu, Chang, Zhang, Yurou, Zhang, Hao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823812/ https://www.ncbi.nlm.nih.gov/pubmed/36615619 http://dx.doi.org/10.3390/molecules28010413

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