Molecular Docking Scores for Top 10 Compounds Against Alpha-Amylase

Ten compounds were selected based on the best molecular docking scores with the enzyme alpha-amylase. The dataset, created by Amir Ali and last updated in April 2026, is a 9.5 KB XLS file containing results from a computational docking study. The work is licensed under CC-BY-4.0 and shared on the figshare platform.

Use Cases

• Ranking potential drug candidates based on docking scores mentioned in the description.
• Validating computational docking methodologies using a focused set of top-performing compounds.
• Comparing binding affinity predictions for alpha-amylase inhibitors.
• Screening for lead compounds in type 2 diabetes research based on the described computational evaluation.

Strengths

• Dataset is openly licensed under CC-BY-4.0.
• File size is 9.5 KB, ensuring quick download and inspection.
• Focus on the top 10 compounds provides a curated subset for analysis.

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, author Amir Ali.

Collection Method

Likely contains results from a computational molecular docking simulation.

Time Range

Dataset last updated in April 2026; creation date is unknown.

Freshness

Last updated 2026-04-03 17:42:46; freshness should be verified.

Geography

Spatial coverage is not specified.