ELRIG – Drug Discovery 2026

Poster session

Poster Title: High-Throughput SPR Screening and Kinetic Characterization Using Carterra Vega™ with AI Binding Prediction Comparison

Presenter: Jonathan Popplewell, PhD, Field Applications Scientist, Carterra

Abstract: Carterra Vega™ is a high-throughput surface plasmon resonance (HT-SPR) platform that enables 48-analyte parallel analysis through its multi-channel flow cell, supporting high-quality binding data collection for up to two targets plus an internal reference in each channel. In this study, small-molecule compounds from the Maybridge fragment library were screened against human carbonic anhydrase II (hCAII) and XII (hCAXII) using Carterra Vega, allowing a 384-well plate to be screened in approximately 35 minutes while providing kinetic context. With fast cycle times and an optional integrated plate-loading robot, Carterra Vega can screen more than 20,000 compounds per day. SPR screening results were compared with binding predictions generated using Boltz-2, and selected hits were subsequently characterized by titration experiments to determine kinetic and affinity parameters. The comparison showed agreement between predicted and experimentally observed binders for a subset of compounds, while also revealing additional binders that were not strongly predicted by the model. Further analysis suggests that AI-based binding predictions align well with known chemical patterns represented in available data, while SPR screening can reveal additional binders beyond those learned patterns. Together, these results demonstrate how HT-SPR can efficiently identify and characterize small-molecule binders while generating experimental datasets that complement and inform computational prediction approaches in early drug discovery.