Long-Timescale Simulations Revealed Critical Non-Conserved Residues of Phosphodiesterases Affecting Selectivity of BAY60-7550

A major obstacle of the selective inhibitor design for specific human phosphodiesterase (PDE) is that highly conserved catalytic pockets are difficult to be distinguished by inhibitor molecules. To overcome this, a feasible path is to understand the molecular determinants underlying the selectivity...

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Detalles Bibliográficos
Autores principales: Liu, Qing, Song, Menghua, Qiu, Yue, Lai-Han Leung, Elaine, Huang, Qiang, Yao, Xiaojun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9508422/
https://www.ncbi.nlm.nih.gov/pubmed/36187927
http://dx.doi.org/10.1016/j.csbj.2022.09.013

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9508422/
https://www.ncbi.nlm.nih.gov/pubmed/36187927
http://dx.doi.org/10.1016/j.csbj.2022.09.013

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