SeeSAR is your intuitive, visual drug design platform. Covering every step of your drug discovery process —
from virtual screening to fragment-based design — SeeSAR fosters ideation in the most fun and comprehensive way.
infiniSee is your Chemical Space navigation platform. Based on similarity, infiniSee finds molecules of interest in
screening libraries or Chemical Spaces of almost infinite size. Given a template or query molecule, infiniSee
returns unexpectedly similar molecules.
The human autophagy system is an important pathway for the degradation of misfolded proteins and organelles. However, approaches to target the membrane-bound autophagy modifiers (LC3/GABARAP proteins, also known as Atg8 proteins) responsible for cargo recruitment have been largely unsuccessful for decades. Therefore, our goal was to identify non-covalent small molecule ligands targeting the main binding site of LC3A (called LIR docking site (LDS)) as potential tools for autophagy modulation and targeted protein degradation (TPD). To identify new ligands, we used SeeSAR to virtually screen our in-house library, followed by biophysical pre-screening (using fluorescence polarisation) and a second iteration of screening...