Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods

Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods

The selective inhibition of immunoproteasome is a valuable strategy to treat autoimmune, inflammatory diseases, and hematologic malignancies. Recently, a new series of amide derivatives as non-covalent inhibitors of the β1i subunit with <i>K</i><sub>i</sub> values in the low/...

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Bibliographic Details
Main Authors: Giulia Culletta, Maria Zappalà, Roberta Ettari, Anna Maria Almerico, Marco Tutone
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Molecules
Subjects:
immunoproteasome
non-covalent inhibitors
molecular dynamics
MD binding
metadynamics
induced-fit docking
Online Access:https://www.mdpi.com/1420-3049/26/13/4046

Internet

https://www.mdpi.com/1420-3049/26/13/4046

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