C52: CSF1R Inhibitor Molecular Structures for Acute Liver Injury Treatment

Xue Yuan published molecular structure data for a series of colony-stimulating factor 1 receptor (CSF1R) inhibitors on figshare in 2026. The dataset, 559.9 KB in size, includes structures like compound C52, which was optimized for treating acetaminophen-induced acute liver injury. The data is provided in PDB format.

Use Cases

• Molecular docking studies based on the reported CSF1R inhibitor structures.
• Analysis of structure-activity relationships for kinase selectivity mentioned in the description.
• Validation of computational drug design strategies for macrophage-mediated inflammation.

Strengths

• Dataset includes specific molecular structures like compound C52, which is described as potent and selective.
• Data is provided in the standardized PDB format, which is widely used in structural biology.

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 Xue Yuan.

Collection Method

Likely generated through structure-guided optimization and experimental validation as described.

Freshness

Last updated 2026-04-23 19:34:52; freshness should be verified.