Focused On-demand Library for Josephin-2

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.


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


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 use our state-of-the-art dedicated workflow for designing focused 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
Q8TAC2

UPID:
JOS2_HUMAN

ALTERNATIVE NAMES:
Josephin domain-containing protein 2

ALTERNATIVE UPACC:
Q8TAC2; M0QX25

BACKGROUND:
The enzyme Josephin-2, recognized alternatively as Josephin domain-containing protein 2, is distinguished by its enzymatic preference for 'Lys-63'-linked poly-ubiquitin chains over 'Lys-48'-linked ones. This activity indicates a specialized function in the deubiquitinating process, essential for maintaining cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Josephin-2 offers a promising avenue for drug discovery. Its involvement in deubiquitinating enzyme pathways positions it as a potential target for therapeutic intervention in diseases where ubiquitination is dysregulated.

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