6-24: Structural Data for a Novel Antiarrhythmic Lead Compound

Zhanpan Wu published a dataset on figshare in 2026 describing the discovery of a novel antiarrhythmic lead compound, 6-24. The dataset includes structural data in PDB format, totaling 1.6 MB, and details the compound's multichannel blockade profile, low hERG liability, and functional restoration capacity in cardiac models.

Use Cases

• Molecular docking studies based on the provided PDB structural data for the roemerine analogue.
• Predicting drug safety profiles based on the described weak hERG inhibition and low QT prolongation risk.
• Analyzing multitarget drug action based on the described blockade of Nav1.5 and Cav1.2 channels.
• Modeling pharmacokinetic parameters based on the established clinically achievable concentration.

Strengths

• Dataset includes structural data in the PDB format, a standard for molecular modeling.
• Description provides specific pharmacological targets (Nav1.5, Cav1.2) and a key safety metric (low hERG inhibition).
• Data is associated with a detailed study published on an academic repository (figshare).

Limitations

• Row count and column-level documentation are absent; field semantics must be inferred after download.
• Data may reflect experimental bias inherent to the specific in vitro and in vivo models described.

Provenance

Source

figshare

Collection Method

Likely contains experimental data from patch-clamp, iPSC-cardiomyocyte MEA, and multielectrode mapping studies described in the associated research.

Freshness

Last updated 2026-05-29 23:44:42; freshness should be verified.