Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P60953
UPID:
CDC42_HUMAN
Alternative names:
G25K GTP-binding protein
Alternative UPACC:
P60953; P21181; P25763; Q7L8R5; Q9UDI2
Background:
Cell division control protein 42 homolog, also known as G25K GTP-binding protein, plays a pivotal role in cellular processes including epithelial cell polarization, spindle microtubule attachment, and cell migration. It is essential for the formation of filopodia in neurons and podocytes, and is involved in dendritic spine structural plasticity and phagocytosis.
Therapeutic significance:
The protein's involvement in Takenouchi-Kosaki syndrome, characterized by macrothrombocytopenia, lymphedema, and developmental delays, highlights its potential as a target for therapeutic intervention. Understanding the role of Cell division control protein 42 homolog could open doors to potential therapeutic strategies.