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.


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 for enzymes.


 

Fig. 1. The screening 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:


  • 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
Q9Y4E8

UPID:
UBP15_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 15; Ubiquitin thioesterase 15; Ubiquitin-specific-processing protease 15; Unph-2; Unph4

ALTERNATIVE UPACC:
Q9Y4E8; Q08AL5; Q9H8G9; Q9HCA6; Q9UNP0; Q9Y5B5

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase 15, also referred to as Ubiquitin thioesterase 15, is integral in regulating various cellular pathways such as TGF-beta signaling, NF-kappa-B, and RNF41/NRDP1-PRKN pathways. It achieves this by mediating deubiquitination of target proteins, including monoubiquitinated R-SMADs and TGFBR1, enhancing TGF-beta signals, and inhibiting mitophagy by counteracting parkin. Additionally, it plays a role in gene expression and DNA repair through histone H2B deubiquitination.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin carboxyl-terminal hydrolase 15 offers a promising avenue for developing novel therapeutic interventions.

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