Molecular Docking Results for Ketamine in Stroke and Depression

42 intersecting genes from an integrated network pharmacology analysis of ketamine's potential effects on comorbid ischemic stroke and depression. The dataset, created by Yunfei Shu and last updated in March 2026, contains results from molecular docking simulations and enrichment analyses. It is a 5.5 KB XLS file shared under a CC-BY-4.0 license on figshare.

Use Cases

• Validate protein-ligand interactions based on molecular docking results for ketamine and candidate proteins like IL1RN and DDIT3.
• Perform pathway enrichment analysis based on the 42 intersecting genes linked to lipid metabolism and interleukin-17 signaling.
• Train predictive models for drug-target interaction based on SHAP-based interpretability analysis results for hub genes.
• Reconstruct signaling or protein-protein interaction networks based on the identified hub gene set.

Strengths

• Results are derived from an integrative analysis of multiple public databases, including Gene Expression Omnibus and SwissTargetPrediction.
• The dataset is focused on a specific research hypothesis, identifying 42 intersecting genes and two central candidates (IL1RN and DDIT3).
• Data is shared under a permissive CC-BY-4.0 license, facilitating reuse.

Limitations

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

Provenance

Source

figshare

Collection Method

In silico analysis combining network pharmacology, gene set enrichment, and molecular docking simulations.

Freshness

Last updated 2026-03-18 17:31:45; freshness should be verified.