AmyloGraph 2.0
🧬 AmyloGraph 2.0: Taming aggregation
Taming aggregation with AmyloGraph 2.0: a database and prediction models of amyloid self‑assembly modulators
PI: Michał
Funding agency: National Science Center Poland
Programme: Sonata 19
Project ID: 2023/51/D/NZ7/02847
Start date: 10 Jul 2024
Duration: 36 months
Budget: 1,797,914.00 PLN (~ €423,300.00)
Neurodegenerative diseases like Alzheimer’s (~5.8 M U.S. cases in 2019, projected 13.8 M by 2050) and Parkinson’s are proteinopathies marked by harmful amyloid aggregation. Existing tools, Cordax, PASTA 2.0, WALTZ, AmyloGram, predict single-protein aggregation but don’t model modulation by experimental conditions or small molecules.
AmyloGraph 1.0 cataloged amyloid–amyloid interactions, though limited to protein–protein modulators without context. The more recent aSynPEP‑DB collects peptide inhibitors of α‑synuclein aggregation, yet is constrained to peptides, inhibitors and a single target.
📌 Project highlights
- ➕ Expand the database to include non-protein modulators with experimental metadata
- 🧠 Train ML models to predict aggregation modulation
- 🧬 Build generative models for novel modulators and validate them computationally and experimentally