6-24: Roemerine Analogue Antiarrhythmic Lead Structure and Data

A 323.7 KB dataset on figshare contains structural data for a novel antiarrhythmic lead compound, 6–24. The dataset, authored by Zhanpan Wu and last updated in May 2026, includes a PDB file likely detailing the compound's molecular structure derived from the roemerine scaffold.

Use Cases

• Modeling drug-target interactions based on the described multichannel blockade profile targeting Nav1.5 and Cav1.2.
• Assessing hERG liability risk based on the compound's reported weak hERG inhibition.
• Analyzing structural features of a roemerine scaffold derivative for lead optimization.
• Evaluating pharmacokinetic properties for a candidate with reported functional restoration capacity in vivo.

Strengths

• The dataset is focused on a specific, novel compound (6–24) with a described multi-target profile.
• Data is provided in the standardized PDB format, suitable for structural analysis.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The description metadata is limited to the compound's properties; actual data file content requires manual inspection.

Provenance

Source

Zhanpan Wu

Collection Method

Likely generated from computational chemistry and experimental pharmacology research.

Freshness

Last updated 2026-05-29 23:44:40; freshness should be verified.