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.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P61019
UPID:
RAB2A_HUMAN
Alternative names:
-
Alternative UPACC:
P61019; B2R5W8; B4DMQ5; P08886
Background:
Ras-related protein Rab-2A plays a pivotal role in intracellular membrane trafficking, regulating the transport of vesicular carriers across organelles. This protein ensures the precise delivery of cargo from the endoplasmic reticulum to the Golgi complex, maintaining organelle identity and morphology through its active GTP-bound state.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-2A could open doors to potential therapeutic strategies, offering insights into the regulation of membrane traffic essential for cellular function and health.