Neutrophil elastase binds at the central domain of extracellular Toll-like receptor 4: AI prediction, docking, and validation in disease model

Neutrophil elastase binds at the central domain of extracellular Toll-like receptor 4: AI prediction, docking, and validation in disease model

Abstract The interaction between Neutrophil Elastase (NE) and Toll-like receptor 4 (TLR4) has attracted substantial scientific attention, particularly regarding its potential role in cardiovascular diseases. Employing AlphaFold2, biomolecular docking, and MMGBSA calculation we aimed to predict their...

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Bibliographic Details
Main Authors: Azeem Ali, Leena Gaba, Sujata Jetley, Imran A. Khan, Prem Prakash
Format: Article
Language:English
Published: Nature Portfolio 2025-03-01
Series:Scientific Reports
Subjects:
Neutrophil elastase
Toll-like receptor 4
AlphaFold2
Protein-Protein interaction
Cardiac hypertrophy
Online Access:https://doi.org/10.1038/s41598-025-93511-6
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https://doi.org/10.1038/s41598-025-93511-6

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