Structure-driven exploration of non-canonical amino acid space for optimized peptide ligands
Lucas Siow
CEO and Co-Founder, ProteinQure Inc
We present a case-study in the application of a structure-based drug design and molecular machine learning workflow
for therapeutic peptide design. For a challenging receptor, we were able to optimize a drug-like lead through the exploration and scoring of hundreds of thousands of peptide analogues containing non-canonical amino acids. The resulting peptides have multi-day half life and picomolar affinity.