Molecular Docking Scores for 57 Compounds Against Alpha-Glucosidase

A computational chemistry dataset from figshare, authored by Amir Ali and last updated in April 2026. It contains molecular docking results for 57 traditionally used compounds against the enzyme alpha-glucosidase. The top 10 compounds are selected based on their docking scores.

Use Cases

• Ranking potential drug candidates based on docking scores mentioned in the description
• Studying the binding mechanism of compounds with alpha-glucosidase as referenced in the platform tags
• Validating computational docking methods using a set of 57 traditionally used compounds
• Comparing therapeutic efficacy predictions for type 2 diabetes treatments based on the computational evaluation

Strengths

• Dataset is small (9.5 KB), enabling quick download and inspection.
• Includes results for 57 compounds, providing a basis for comparative analysis.
• Released under a permissive CC-BY-4.0 license for reuse.

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

Amir Ali via figshare

Collection Method

Likely generated through computational molecular docking simulations.

Time Range

null

Freshness

Last updated 2026-04 03 17:42:49; freshness should be verified.

Geography

null