Docking and virtual screening data for natural product alternatives to alpha-glucosidase inhibitor acarbose

This dataset contains docking and virtual screening results for the discovery
of natural product inhibitors targeting alpha-glucosidase enzymes.

Targets:

• 2QMJ
• 3BAJ
• 5NN8

Docking was performed using GNINA. Processed outputs include:

• CNN_VS scores for actives and decoys
• Decoy molecule SMILES (output from LIDEB's Useful Decoys)
• Redocking validation results
• Docked poses for active compounds
• A high-similarity candidate list derived from the COCONUT database

Each target's results are provided as compressed archives.