Non-prostanoid EP4 Agonist Structures for Inflammatory Bowel Disease Treatment

A 504.2 KB dataset from figshare contains structural data related to the discovery of non-prostanoid EP4 agonists for treating inflammatory bowel disease. Heidi L. Perez authored this research, which was last updated in April 2026. It includes computational models and protein structures from high-throughput screening and mutagenesis studies.

Use Cases

• Analyze the 3D protein-ligand binding interactions between lead compound 11a and the EP4 receptor's orthosteric PGE2 site.
• Use computational modeling data to understand structural differentiation from prostanoids for novel agonist design.
• Reference the provided PDB structures for molecular docking studies against the EP4 receptor target.
• Study the structural features correlated with efficacy in a mouse model of inflammatory bowel disease from the SAR campaign.

Strengths

• Includes specific structural data for a lead compound (11a) profiled in mouse pharmacokinetic and efficacy studies.
• Data is derived from high-throughput screening and structure-activity relationship optimization campaigns.

Limitations

• The dataset is very small at 504.2 KB, indicating limited scope, likely containing only a few key protein-ligand structures.
• No explicit column or sample data is provided, making direct analysis of tabular SAR or experimental results impossible.
• Data is focused on a single lead series and receptor target, limiting generalizability.

Provenance

Source

Heidi L. Perez, published on figshare.

Collection Method

Generated through high-throughput screening, structure-activity relationship studies, computational modeling, and high-throughput mutagenesis.

Freshness

Last updated in April 2026, indicating recent deposition.