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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P61018
UPID:
RAB4B_HUMAN
Alternative names:
-
Alternative UPACC:
P61018; P22750; Q7Z514; Q9HBR6
Background:
Ras-related protein Rab-4B is a pivotal small GTPase, cycling between active GTP-bound and inactive GDP-bound states, indicative of its dynamic role in cellular processes. It is primarily implicated in protein transport and vesicular traffic, showcasing its fundamental role in intracellular logistics. Additionally, it acts as a crucial regulator of platelet alpha-granule release, a key event in the activation and aggregation of platelets, underscoring its significance in hemostasis.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-4B could open doors to potential therapeutic strategies. Its involvement in critical cellular processes and platelet function highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.