Comparison of Intermolecular Interactions of Irreversible and Reversible Inhibitors with Bruton’s Tyrosine Kinase via Molecular Dynamics Simulations

Comparison of Intermolecular Interactions of Irreversible and Reversible Inhibitors with Bruton’s Tyrosine Kinase via Molecular Dynamics Simulations

Bruton’s tyrosine kinase (BTK) is a key protein from the TEC family and is involved in B-cell lymphoma occurrence and development. Targeting BTK is therefore an effective strategy for B-cell lymphoma treatment. Since previous studies on BTK have been limited to structure-function analyses of static...

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Bibliographic Details
Main Authors: Xiangfan Yu, Simei Qiu, Dongshan Sun, Pei Guo, Quhuan Li
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Molecules
Subjects:
Bruton’s tyrosine kinase
small molecule inhibitors
molecular simulation
ibrutinib
ARQ531
Online Access:https://www.mdpi.com/1420-3049/27/21/7451

Internet

https://www.mdpi.com/1420-3049/27/21/7451

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