HDM1005: Molecular Dynamics Data for a GLP-1/GIP Dual Agonist

HDM1005 (poterepatide), a novel GLP-1/GIP dual agonist, was engineered via computational alanine scanning and rational acylation design. The dataset, authored by Nan Zhang and last updated in May 2026, likely contains results from molecular dynamics simulations and MMGBSA calculations comparing HDM1005 to Tirzepatide.

Use Cases

• Compare receptor binding affinity and stability based on molecular dynamics simulation results mentioned in the description
• Analyze the impact of acylation site design on pharmacokinetic half-life based on reported T1/2 data
• Evaluate in vivo efficacy metrics for weight loss and HbA1c reduction based on results from db/db and DIO mouse models

Strengths

• Specific in vivo efficacy results are provided, such as a 39.97% weight loss in DIO mice versus Tirzepatide's 34.47%.
• Key pharmacokinetic metrics are quantified, including an extended half-life (T1/2 ∼ 20.3–23.1 h) compared to a reference drug.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

figshare

Collection Method

Generated via computational alanine scanning and rational acylation design, with validation through molecular dynamics simulations and in vivo mouse studies.

Freshness

Last updated 2026-05-13 10:09:37; freshness should be verified.