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.


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.


We employ our advanced, specialised process to create 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
Q8N2K1

UPID:
UB2J2_HUMAN

ALTERNATIVE NAMES:
E2 ubiquitin-conjugating enzyme J2; Non-canonical ubiquitin-conjugating enzyme 2

ALTERNATIVE UPACC:
Q8N2K1; A8MYC7; Q504T9; Q96N26; Q96T84

BACKGROUND:
The Ubiquitin-conjugating enzyme E2 J2, known for its alternative names E2 ubiquitin-conjugating enzyme J2 and Non-canonical ubiquitin-conjugating enzyme 2, is essential for the ubiquitin-proteasome system. It is instrumental in the covalent attachment of ubiquitin to substrates, facilitating the ERAD mechanism for eliminating misfolded proteins from the endoplasmic reticulum.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ubiquitin-conjugating enzyme E2 J2's function offers a promising avenue for developing novel therapeutic approaches. Its key role in managing cellular protein quality control underscores its therapeutic potential in conditions related to protein misfolding.

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