PeptAI Update: De Novo Design Live, OX2R Leads, LigandForge
What's New:
• De Novo Generation Running: Two full de novo campaigns completed this window against OX2R and VEGFR2. The generator proposes binders from the target structure; PeptAI validates them independently.
• OX2R: Six candidates advanced. OX2R is the orexin receptor tied to sleep and wakefulness. We targeted the orthosteric pocket of the active-state structure and six designs cleared both the structural pose and affinity gates. The strongest predicted interface is comparable to orexin-B, the natural agonist. MD stability testing is running now. To our knowledge, these are among the first de novo-designed binders reported against an orexin receptor.
• LigandForge as generator: We integrated Ligandal's LigandForge into the pipeline as a design front-end. It proposes binders from a receptor pocket in one pass; PeptAI runs independent validation on everything it outputs. The OX2R run above was the first live test of that split. Keeping generation and validation separate means no generator's confidence score substitutes for gate results.
• VEGFR2 Assays Incoming: Eight de novo VEGFR2 mini-binders submitted for BLI assays, returning full affinity kinetics (KD, kon, koff). First real binding data for this program. Results feed directly into the next design cycle.