Underlying Data for S6A–S6F Fig: S1PR1 Agonist Selectivity Analysis

Leiye Yu published this dataset on figshare in April 2026. It contains the underlying data for figures S6A–S6F, supporting a study on sphingosine-1-phosphate receptor 1 (S1PR1) agonist selectivity. The data is provided in a single 58.6 KB XLSX file.

Use Cases

• Analyzing structural determinants of agonist selectivity based on cryo-EM structures and molecular dynamics simulations.
• Comparing ligand-binding pocket interactions for different agonists (CYM5442, HY-X-1011, Ponesimod, SAR247799) across S1PR subtypes.
• Modeling steric clashes and polar interactions that influence S1PR1 selectivity over S1PR2-S1PR5.
• Supporting the rational design of next-generation S1PR1 agonists with improved therapeutic potential.

Strengths

• Data is directly linked to published structural analysis, molecular dynamics simulations, and pharmacological assays.
• Released under a permissive CC-BY-4.0 license, allowing for reuse and redistribution.
• File size is 58.6 KB, making it quick to download and inspect.

Limitations

• Row count and column-level documentation are unknown; field semantics must be inferred after download.
• Description metadata is limited; actual data quality and structure require manual inspection after download.

Provenance

Source

figshare

Collection Method

Data generated from structural analysis, molecular dynamics simulations, and pharmacological assays as part of a research study.

Time Range

Publication date suggests data is from research conducted prior to April 2026.

Freshness

Last updated 2026-04-10 17:45:01; freshness should be verified.

Geography

Geographic coverage is not specified in the provided metadata.