C52: CSF1R Inhibitor Structures for Acute Liver Injury Treatment

PDB files detail the structure-guided optimization of CSF1R inhibitors, including compound C52, for treating acetaminophen-induced liver injury. The dataset, authored by Xue Yuan and last updated in April 2026, is 560.3 KB in size. It supports research into macrophage-mediated inflammation and preclinical drug development.

Use Cases

• Training predictive models for kinase selectivity based on structural features mentioned in the description.
• Analyzing structure-activity relationships for CSF1R inhibition potency.
• Benchmarking molecular docking simulations against the provided PDB structures.
• Studying the correlation between inhibitor structure and suppression of p-CSF1R/p-AKT/p-ERK signaling pathways.

Strengths

• Includes specific molecular structure data (PDB files) for the optimized compound C52.
• Dataset is focused on a single, well-defined research goal: CSF1R inhibition for acute liver injury.

Limitations

• Dataset size is 560.3 KB, indicating a very limited scope of data.
• 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

Structure-guided optimization strategy reported in the associated research.

Freshness

Last updated 2026-04-23 19:34:56; freshness should be verified.