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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
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
Q6ZSG1
UPID:
ARK2C_HUMAN
Alternative names:
RING finger protein 165
Alternative UPACC:
Q6ZSG1; B3KVD1
Background:
E3 ubiquitin-protein ligase ARK2C, also known as RING finger protein 165, plays a pivotal role in motor axon elongation. It enhances the transcriptional responses of SMAD1/SMAD5/SMAD8 effectors, crucial for motor axon extension in the dorsal forelimb. ARK2C achieves this by mediating the ubiquitination and subsequent degradation of SMAD inhibitors like SMAD6, SMAD7, SKI, and SNON isoform of SKIL.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase ARK2C could open doors to potential therapeutic strategies.