Identification of potential VP40 inhibitor of Marburg virus through molecular docking, pharmacokinetic analysis and molecular dynamics simulation

Identification of potential VP40 inhibitor of Marburg virus through molecular docking, pharmacokinetic analysis and molecular dynamics simulation

Abstract West Africa has been experiencing a resurgence of Marburg virus disease (MVD), a zoonotic pathogen that causes severe hemorrhagic fever in both humans and primates. Regretfully, there are not any effective medications on the market right now. The binding interactions between MARV VP40, a pr...

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Bibliographic Details
Main Authors: Rohit Das, Anil Bhattarai, Buddhiman Tamang, Nagendra Thakur
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
MARV VP40
Medicinal plants
Procyanidin
Molecular docking
Molecular dynamics simulation
Online Access:https://doi.org/10.1038/s41598-025-12917-4
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