QSAR modelling, molecular docking, molecular dynamic and ADMET prediction of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors

QSAR modelling, molecular docking, molecular dynamic and ADMET prediction of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors

In recent years, there has been a focus on developing and discovering novel Bruton's tyrosine kinase (BTK) inhibitors, as they offer an effective treatment strategy for B-cell malignancies. BTK plays a crucial role in B cell receptor (BCR)-mediated activation and proliferation by regulating dow...

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Bibliographic Details
Main Authors: Mourad Aloui, Mohammed Er-rajy, Hamada Imtara, Amina Goudzal, Sara Zarougui, Mohamed El fadili, David E. Arthur, Ramzi A. Mothana, Omar M. Noman, Mahmoud Tarayrah, Elhalaoui Menana
Format: Article
Language:English
Published: Elsevier 2024-01-01
Series:Saudi Pharmaceutical Journal
Subjects:
QSAR
Pyrrolopyrimidine
Molecular docking
Molecular dynamic
ADMET propriety
BTK inhibitors
Online Access:http://www.sciencedirect.com/science/article/pii/S1319016423004061

Internet

http://www.sciencedirect.com/science/article/pii/S1319016423004061

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