Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H201
UPID:
EPN3_HUMAN
Alternative names:
EPS-15-interacting protein 3
Alternative UPACC:
Q9H201; A8K6J3; A8KAB2; Q9BVN6; Q9NWK2
Background:
Epsin-3, also known as EPS-15-interacting protein 3, plays a crucial role in endocytosis, a process vital for cellular communication and nutrient uptake. Its unique structure facilitates interactions with other proteins, influencing cell surface receptor internalization and trafficking.
Therapeutic significance:
Understanding the role of Epsin-3 could open doors to potential therapeutic strategies. Its involvement in endocytosis suggests a pivotal function in cellular processes, making it a target for research in disease treatment and drug delivery systems.