Engineering and Translational Evaluation of A Novel Albumin-binding VHH for Half-life Extension

This dataset supports the manuscript “Engineering and Translational Evaluation of A Novel Albumin-binding VHH for Half-life Extension”, containing raw data for key experimental/computational analyses to ensure reproducibility of albumin-binding VHH-mediated protein drug half-life extension findings.
1. Image-Associated Raw Data
Includes raw data for all manuscript figures: Surface Plasmon Resonance (SPR) files (Biacore T200 sensorgrams, CSV) for anti-HSA VHH (e.g., clone H2) binding to HSA/CSA, plus alanine-scanning mutagenesis data (key HSA mutants) validating binding residues. Pharmacokinetic (PK)/Pharmacodynamic (PD) data (Excel/CSV) covers serum concentration-time profiles (hFcRn transgenic mice, HSA/hFcRn double-transgenic mice, cynomolgus monkeys: VHH candidates D6/A1/H2, FSH-m7, wild-type FSH) and juvenile Sprague-Dawley rat ovarian weight/serum estradiol (LC-MS/MS). Dynamic Light Scattering (DLS)/nanoDSF data (CSV) includes FSH-m7’s hydrodynamic size, PDI, Tm, and Tagg from Prometheus Panta.
2. In Silico Immunogenicity Prediction Raw Data
Raw CSV/TXT files for H2-VHH4 and FSH-m7: NetMHCpan EL 4.1 (9-mer MHC-I) and NetMHCIIpan EL 4.1 (15-mer MHC-II) outputs (binding scores, strong/weak binder classification, 43 HLA-I/30 HLA-II alleles for global coverage). ABCpred data (16-residue window, threshold 0.51) provides residue-wise scores for 348-aa FSH-m7, annotating VHH-FSH junction and GGGGS linkers.
3. H2-HSA Complex 3D Structure Prediction Data
AlphaFold3 raw files for HSA-VHH (H2) heterodimer: CIF/JSON 3D structure files (residue coordinates, intermolecular interactions) and Excel/CSV assessment data (iptm=0.87, overall ranking score=0.87, residue-wise interaction annotations validated by alanine scanning).
Data Reuse Value
Enables validating VHH-HSA binding, reproducing FSH-m7/VHH PK/PD profiles, extending albumin-binding biologic immunogenicity analyses, and optimizing VHH-albumin structures. Data is compatible with GraphPad Prism/Discovery Studio 2025 and adheres to FAIR principles.