Lead Compounds Catechin Gallate and Bilobetin for Reovirus σ1 Protein

Two lead compounds, catechin gallate and bilobetin, are identified for the reovirus attachment protein σ1. The dataset includes their names, PubChem CIDs, binding affinity scores, and details of non-bonded interactions. It was uploaded by Eitu Dey to figshare in June 2026.

Use Cases

• Screen for antiviral lead compounds based on binding affinity to the σ1 protein.
• Analyze non-bonded interactions between small molecules and a viral attachment protein.
• Cross-reference identified compounds using their provided PubChem CIDs.
• Validate computational docking or molecular modeling results against the listed interaction data.

Strengths

• Focuses on two specific lead compounds with explicit names and PubChem identifiers.
• Includes concrete metrics like binding affinity and non-bonded interactions for analysis.
• Published under a CC-BY-4.0 license, allowing for open reuse and modification.

Limitations

• The dataset is very small (5.5 KB), suggesting a limited scope of only two compounds.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for broader analyses.

Provenance

Source

figshare

Freshness

Last updated 2026-06-03 17:41:38; freshness should be verified.