Molecular Docking Results for Top 10 MMP-9 Inhibitor Candidates

5.5 KB of molecular docking results for 10 candidate compounds targeting Matrix Metalloproteinase-9 (MMP-9) for cerebral ischemia therapy. The dataset was created by Jian Zhang and shared on figshare under a CC-BY-4.0 license, last updated in May 2026. It likely contains scores and metrics from a computational pipeline involving pharmacophore modeling, virtual screening, and ADMET analysis.

Use Cases

• Ranking potential drug candidates based on docking scores mentioned in the description
• Validating computational drug discovery pipelines that combine pharmacophore modeling and molecular dynamics simulation
• Comparing binding free energy calculations using MMGBSA and MMPBSA methods referenced in the study

Strengths

• Dataset is small (5.5 KB), facilitating quick download and inspection.
• The research context is clearly described, linking the data to a specific therapeutic target (MMP-9) and disease (cerebral ischemia).

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small in size (5.5 KB), indicating a limited scope of results.

Provenance

Source

figshare

Collection Method

Generated via a computational pipeline combining structure-based pharmacophore modeling, virtual screening, molecular docking, and ADMET analysis.

Freshness

Last updated 2026-05-14 17:33:32; freshness should be verified.