Insights into the Impact of Linker Flexibility and Fragment Ionization on the Design of CK2 Allosteric Inhibitors: Comparative Molecular Dynamics Simulation Studies

Protein kinase is a novel therapeutic target for human diseases. The off-target and side effects of ATP-competitive inhibitors preclude them from the clinically relevant drugs. The compounds targeting the druggable allosteric sites outside the highly conversed ATP binding pocket have been identified...

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Detalles Bibliográficos
Autores principales: Zhou, Yue, Zhang, Na, Qi, Xiaoqian, Tang, Shan, Sun, Guohui, Zhao, Lijiao, Zhong, Rugang, Peng, Yongzhen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5796060/
https://www.ncbi.nlm.nih.gov/pubmed/29301250
http://dx.doi.org/10.3390/ijms19010111

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5796060/
https://www.ncbi.nlm.nih.gov/pubmed/29301250
http://dx.doi.org/10.3390/ijms19010111

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