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.
We employ our advanced, specialised process to create targeted 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
P20339
UPID:
RAB5A_HUMAN
Alternative names:
-
Alternative UPACC:
P20339; B4DJA5; Q6FI44
Background:
Ras-related protein Rab-5A plays a pivotal role in cellular processes, including membrane trafficking and filopodia extension. It cycles between active GTP-bound and inactive GDP-bound states, engaging with effector proteins to regulate vesicle formation, movement, tethering, and fusion. Essential for early endosome fusion and exosomal release of key molecules, Rab-5A's function is crucial for maintaining cellular homeostasis.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-5A could open doors to potential therapeutic strategies.