Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 25

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q9UHP3

UPID:
UBP25_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 25; USP on chromosome 21; Ubiquitin thioesterase 25; Ubiquitin-specific-processing protease 25

ALTERNATIVE UPACC:
Q9UHP3; C0LSZ0; Q6DHZ9; Q9H9W1

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase 25, known by alternative names such as Deubiquitinating enzyme 25 and Ubiquitin-specific-processing protease 25, plays a fundamental role in the ubiquitin-proteasome system. By hydrolyzing ubiquitin moieties from substrates, it regulates the turnover and function of proteins. The enzyme's ability to process both 'Lys-48'- and 'Lys-63'-linked ubiquitin chains signifies its broad regulatory scope in cellular processes, including muscle differentiation and function through its isoform USP25m.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ubiquitin carboxyl-terminal hydrolase 25's functions offers a promising avenue for drug discovery. Its critical role in protein homeostasis and cellular regulation makes it a compelling target for therapeutic intervention in diseases linked to protein degradation and misfolding.

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