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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8WUD1
UPID:
RAB2B_HUMAN
Alternative names:
-
Alternative UPACC:
Q8WUD1; B2RD03; D3DS24; Q6NZ33
Background:
Ras-related protein Rab-2B plays a pivotal role in intracellular membrane trafficking, regulating the movement of vesicular carriers and maintaining organelle identity. It cycles between active and inactive states, influencing the Golgi's morphology and promoting innate immune responses against DNA viruses by modulating the CGAS-STING signaling axis.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-2B could open doors to potential therapeutic strategies.