Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P61225
UPID:
RAP2B_HUMAN
Alternative names:
-
Alternative UPACC:
P61225; P17964; Q96EG5; Q9CXG0
Background:
Ras-related protein Rap-2b is a pivotal small GTP-binding protein, transitioning between GDP-bound inactive and GTP-bound active forms. It plays a crucial role in EGFR and CHRM3 signaling pathways by stimulating PLCE1, influencing cytoskeletal rearrangements, and regulating cell spreading via TNIK activation. Additionally, it is involved in membrane vesiculation in red blood cells.
Therapeutic significance:
Understanding the role of Ras-related protein Rap-2b could open doors to potential therapeutic strategies.