ArticleScientific reports2024
Network pharmacology, molecular docking, and dynamics analyses to predict the antiviral activity of ginger constituents against coronavirus infection.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Safety, Sedative, and Anxiolytic Evaluation of MECS Hard Capsules Using In Silico and In Vivo Approaches.ACS omega · 2026Article
- Biodiversity to Breakthroughs: The Promise of Saudi Arabian Medicinal Plants in Antiviral Research.Applied biochemistry and biotechnology · 2025Review
- Network pharmacology, molecular docking, molecular dynamics simulation, and experiment verification analysis to reveal the action mechanism of RenShen Guipi Wan in the treatment of anemia.Biotechnology letters · 2025Article
- Virtual Screening of Phytoconstituents in Indian Spices based on their Inhibitory Potential against SARS-CoV-2.Protein and peptide letters · 2025Article
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Authors and funding
5 authors.
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Abstract
COVID-19 is a global pandemic that caused a dramatic loss of human life worldwide, leading to accelerated research for antiviral drug discovery. Herbal medicine is one of the most commonly used alternative medicine for the prevention and treatment of many conditions including respiratory system diseases. In this study, a computational pipeline was employed, including network pharmacology, molecular docking simulations, and molecular dynamics simulations, to analyze the common phytochemicals of ginger rhizomes and identify candidate constituents as viral inhibitors. Furthermore, experimental assays were performed to analyze the volatile and non-volatile compounds of ginger and to assess the antiviral activity of ginger oil and hydroalcoholic extract. Network pharmacology analysis showed that ginger compounds target human genes that are involved in related cellular processes to the viral infection. Docking analysis highlighted five pungent compounds and zingiberenol as potential inhibitors for the main protease (M
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