Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O14976
UPID:
GAK_HUMAN
Alternative names:
-
Alternative UPACC:
O14976; Q5U4P5; Q9BVY6
Background:
Cyclin-G-associated kinase plays a pivotal role in cellular processes, associating with cyclin G and CDK5. It acts as an auxilin homolog, crucial for the uncoating of clathrin-coated vesicles by Hsc70 in non-neuronal cells. Its expression varies, peaking at G1 of the cell cycle.
Therapeutic significance:
Understanding the role of Cyclin-G-associated kinase could open doors to potential therapeutic strategies.