Focused On-demand Library for Epsin-1

Focused On-demand Libraries - Receptor.AI Collaboration


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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q9Y6I3

UPID:
EPN1_HUMAN

ALTERNATIVE NAMES:
EH domain-binding mitotic phosphoprotein; EPS-15-interacting protein 1

ALTERNATIVE UPACC:
Q9Y6I3; Q86ST3; Q9HA18

BACKGROUND:
Epsin-1, identified by its interactions with phosphatidylinositol 4,5-bisphosphate, is key in modifying membrane curvature and promoting clathrin-coated pit formation. This protein's ability to regulate endocytosis, as evidenced by studies (PubMed:10557078, PubMed:10393179), underscores its significance in cellular transport mechanisms.

THERAPEUTIC SIGNIFICANCE:
The exploration of Epsin-1's function offers a promising avenue for therapeutic intervention. Given its critical role in endocytosis, targeting Epsin-1 could lead to novel treatments for conditions where cellular uptake mechanisms are compromised.

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