Bi-Triazine Cross-Linker Effects on Cyclic and Dimeric Peptide Conformation and Activity

Quan Zuo's dataset from 2026 presents a programmable platform using eight bi-triazine cross-linkers to establish structure–conformation–biology relationships for peptide therapeutics. The data likely contains results from binding assays, cell studies, and in vivo PET/CT imaging for cyclic RGD and dimeric KTLLPTP peptide models targeting integrin αvβ3 and Plectin-1. The work identifies a lead candidate with high tumor contrast and provides a framework for precision peptide engineering.

Use Cases

• Training models to predict peptide conformation based on cross-linker geometry features like bond length, angle, and aromaticity.
• Analyzing the relationship between linker symmetry and protein binding affinity for cyclic peptides.
• Evaluating the 'molecular ruler' effect of bond length and angle on bivalent binding in dimeric peptide systems.
• Correlating in vitro assay data with in vivo PET/CT imaging results for tumor uptake prediction.

Strengths

• Systematic evaluation using eight distinct cross-linkers with varied geometry, aromaticity, and symmetry.
• Integrated data from multiple experimental levels: binding assays, cell studies, and in vivo PET/CT imaging.
• Identifies a specific lead candidate ([68Ga]Ga-8a) with quantified tumor contrast (~5 %ID/mL).

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small (896.5 KB), indicating limited scope.

Provenance

Source

Quan Zuo via figshare

Collection Method

Experimental data from binding assays, cell studies, and in vivo PET/CT imaging.

Time Range

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Freshness

Last updated 2026-04-15 11:37:30; freshness should be verified.

Geography

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