P2X7 Receptor Models: Comparative Analysis of Homology Modeling and AlphaFold

Lauro Miranda Lima published a study on 2026-04-21 comparing structural models of the human P2X7 receptor. The work evaluates four models generated via conventional homology modeling using templates 6U9W and 8TRB, and via AlphaFold 2 and 3. The 633.2 KB PDF details model confidence scores and docking simulations with ATP and JNJ47965567.

Use Cases

• Benchmarking AlphaFold performance against traditional homology modeling based on the described comparative analysis.
• Informing virtual screening workflows for P2X7 antagonists based on the described ligand-binding interaction profiles.
• Studying conformational states of the P2X7 receptor based on the described open and closed state models.

Strengths

• Provides specific model confidence scores (e.g., 0.71, 0.77, 0.841, 0.82) for direct comparison.
• Explicitly identifies the PDB templates (6U9W, 8TRB) and ligands (ATP, JNJ47965567) used for modeling and docking.
• Released under a permissive CC-BY-4.0 license for reuse.

Limitations

• The dataset is a 633.2 KB PDF document; the underlying structural model files are not provided, limiting direct computational use.
• Description metadata is limited; actual data quality requires manual inspection after download.
• The study notes a key limitation that AlphaFold generated models exclusively in the closed state.

Provenance

Source

Lauro Miranda Lima via figshare

Collection Method

Models generated via homology modeling (SWISS-MODEL) and deep learning (AlphaFold 2 & 3), followed by structural assessment and docking simulations.

Freshness

Last updated 2026-04-21 06:39:55; freshness should be verified.