Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P10114
UPID:
RAP2A_HUMAN
Alternative names:
RbBP-30
Alternative UPACC:
P10114; B2RCJ1; Q5JSC1; Q5JSC2
Background:
Ras-related protein Rap-2a, also known as RbBP-30, is a pivotal small GTP-binding protein. It oscillates between GDP-bound inactive and GTP-bound active states, influencing various effectors like MAP4K4, MINK1, and TNIK. This protein is integral to a signaling complex with NEDD4, RAP2A, and TNIK, crucial for neuronal dendrite extension and arborization during development. It plays a significant role in signaling cascades, affecting cytoskeletal rearrangements, cell migration, adhesion, and spreading.
Therapeutic significance:
Understanding the role of Ras-related protein Rap-2a could open doors to potential therapeutic strategies.