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WaterMap and Molecular Dynamic Simulation-Guided Discovery of Potential PAK1 Inhibitors Using Repurposing Approaches

[Image: see text] p21-Activated kinase 1 (PAK1) is positioned at the nexus of several oncogenic signaling pathways. Currently, there are no approved inhibitors for disabling the transfer of phosphate in the active site directly, as they are limited by lower affinity, and poor kinase selectivity. In...

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Detalles Bibliográficos
Autores principales:	Biswal, Jayashree, Jayaprakash, Prajisha, Rayala, Suresh Kumar, Venkatraman, Ganesh, Rangaswamy, Raghu, Jeyaraman, Jeyakanthan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8529594/ https://www.ncbi.nlm.nih.gov/pubmed/34693105 http://dx.doi.org/10.1021/acsomega.1c02032

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