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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
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.