Binding Energy and Inhibition Constants for Garlic Compounds Docked Against Targets

Binding energy (ΔG, kcal/mol) and inhibition constant (Ki, μM) values for organosulfur compounds derived from Allium sativum L. (garlic). Courage Siame uploaded this dataset to figshare in May 2026. The data is stored in a 9.5 KB XLS file.

Use Cases

• Ranking compound affinity based on binding energy (ΔG) values.
• Estimating biological potency based on inhibition constant (Ki) values.
• Identifying promising lead compounds from garlic for further in vitro or in vivo testing.
• Comparing docking results for organosulfur compounds against different macromolecular targets.

Strengths

• The dataset is openly licensed under CC-BY-4.0.
• The file size is 9.5 KB, indicating a focused and manageable dataset.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Freshness

Last updated 2026-05-06 17:26:43; freshness should be verified.