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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
P15374

UPID:
UCHL3_HUMAN

ALTERNATIVE NAMES:
Ubiquitin thioesterase L3

ALTERNATIVE UPACC:
P15374; B2R970; Q5TBK8; Q6IBE9

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase isozyme L3, known for its deubiquitinating activity, selectively targets 'Lys-48'-linked ubiquitin chains and plays a significant role in the regulation of ENAC in apical compartments. Its activity is essential for insulin-induced adipogenesis and stress-response maintenance in various tissues. The enzyme's preference for Arg and Lys at position P3'' underlines its specificity in protein processing.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin carboxyl-terminal hydrolase isozyme L3 offers a promising pathway to developing novel therapeutic approaches.

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