In silico determination of novel SARS-CoV-2 envelope protein ion channel inhibitors

In silico determination of novel SARS-CoV-2 envelope protein ion channel inhibitors

The SARS-CoV-2 envelope protein (2-EPRO), a viroporin crucial for viral pathogenesis, is a promising target for antiviral drug development as it is highly conserved and functionally important. Although it is a promising therapeutic target for the treatment of COVID-19, it has often been overlooked i...

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Bibliographic Details
Main Authors: Nina Kobe, Lennart Dreisewerd, Matic Pavlin, Polona Kogovšek, Črtomir Podlipnik, Uroš Grošelj, Miha Lukšič
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
SARS-CoV-2 envelope protein
Viroporin
Ion channel
Channel blockers
Molecular dynamics simulations
Free energy calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037025002557
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http://www.sciencedirect.com/science/article/pii/S2001037025002557

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