Molecular Simulation Data for Antiviral Compounds from Selaginella Bryopteris

2026 data from Harvard Dataverse supports research on multi-target antivirals from Selaginella bryopteris. The dataset, authored by Alejandro Morales-Bayuelo, contains computational results for compounds Amentoflavone and Myo-Inositol.

Use Cases

• Analyze molecular simulation results for Amentoflavone and Myo-Inositol to identify binding affinities.
• Apply network pharmacology techniques using the computational data to study multi-target antiviral mechanisms.
• Validate potential antiviral activity of Selaginella bryopteris compounds through computational docking scores.

Strengths

• Data is recently updated as of January 2026.
• Focuses on two specific, named compounds: Amentoflavone and Myo-Inositol.
• Associated with a peer-reviewed manuscript, providing research context.

Limitations

• Dataset size, row count, and column structure are unknown.
• Contains only computational simulation data, lacking experimental validation.
• Scope is limited to two compounds from a single plant species.

Provenance

Source

Harvard Dataverse

Collection Method

Computational network pharmacology and molecular simulations.

Freshness

Last updated on 2026-01-21.