HDM1005: Molecular Dynamics Evolution of a GLP-1/GIP Dual Agonist

HDM1005 (poterepatide) is a novel peptide engineered via computational alanine scanning and rational acylation design. It was developed by Nan Zhang and shared on figshare in May 2026. The dataset includes structural data files (PDB format) totaling 549.3 KB.

Use Cases

• Analyze receptor binding affinity based on molecular dynamics simulations and MMGBSA calculations mentioned in the description
• Study the impact of acylation site optimization on pharmacokinetics based on the described half-life extension
• Compare therapeutic efficacy against reference compounds based on described HbA1c reduction and weight loss metrics in mouse models

Strengths

• Dataset includes specific, quantitative efficacy metrics, such as a 39.97% weight loss in DIO mice versus 34.47% for Tirzepatide
• Provides detailed methodological context, including computational techniques like alanine scanning and steric clash analysis
• Includes a defined safety benchmark with a NOAEL of 5 mg/kg

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment
• The 549.3 KB size indicates a very limited scope, likely containing only a few structural files or summary data

Provenance

Source

figshare

Collection Method

Computational alanine scanning and rational acylation design, validated via molecular dynamics simulations and in vivo mouse studies.

Freshness

Last updated 2026-05-13 10:09:38