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 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.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P20338
UPID:
RAB4A_HUMAN
Alternative names:
-
Alternative UPACC:
P20338; Q5T7P7; Q9BQ44
Background:
Ras-related protein Rab-4A is a pivotal small GTPase, cycling between active GTP-bound and inactive GDP-bound states, crucial for protein transport and vesicular traffic. It significantly influences VEGFR2 endosomal trafficking, enhancing VEGFR2 signaling, and regulates platelet alpha-granule release during platelet activation and aggregation.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-4A could open doors to potential therapeutic strategies.