Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P09382
UPID:
LEG1_HUMAN
Alternative names:
14 kDa laminin-binding protein; 14 kDa lectin; Beta-galactoside-binding lectin L-14-I; Galaptin; HBL; HPL; Lactose-binding lectin 1; Lectin galactoside-binding soluble 1; Putative MAPK-activating protein PM12; S-Lac lectin 1
Alternative UPACC:
P09382; B2R5E8; Q9UDK5
Background:
Galectin-1, known for its diverse roles, binds beta-galactoside and various complex carbohydrates. It is recognized by several names, including Galaptin and HPL, and is identified by the UniProt accession number P09382. This protein is integral in apoptosis regulation, cell proliferation, and differentiation. It uniquely inhibits CD45 protein phosphatase activity, impacting Lyn kinase dephosphorylation and serving as a potent inducer of T-cell apoptosis.
Therapeutic significance:
Understanding the role of Galectin-1 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.