Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9UMW8

UPID:
UBP18_HUMAN

ALTERNATIVE NAMES:
43 kDa ISG15-specific protease; ISG15-specific-processing protease; Ubl thioesterase 18

ALTERNATIVE UPACC:
Q9UMW8; Q53Y90; Q6IAD9; Q9NY71

BACKGROUND:
Ubl carboxyl-terminal hydrolase 18, recognized for its alternative names such as ISG15-specific-processing protease, is integral to maintaining cellular protein balance. It achieves this by cleaving ISG15 conjugates and regulating key signaling pathways involved in T-cell activation, antiviral defense, and inflammation. Its activity as a major deISGylation enzyme for nuclear proteins is essential for proper immune response and cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Pseudo-TORCH syndrome 2, a disorder characterized by severe neurological and systemic manifestations, Ubl carboxyl-terminal hydrolase 18 represents a promising target for therapeutic intervention. Exploring its functions further could lead to novel treatments for this and potentially other related diseases.

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