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.
During the last 12 months we have been working on designing small molecules to interfere with calpain binding to p35 (CDK5’s activator) to prevent its conversion to the pathogenic p25. It is a new hypothesis with no previous reference compounds, so we mainly relied on the computational de novo design techniques in both the hit to lead and lead optimization stages of our project. Inspirator mode in SeeSAR came in handy in each of the aforementioned stages through its powerful and user-friendly core-replacement and fragment-growing options. Hits were first generated by virtual screening of the ZINC database using a pharmacophore...