Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q70CQ4

UPID:
UBP31_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 31; Ubiquitin thioesterase 31; Ubiquitin-specific-processing protease 31

ALTERNATIVE UPACC:
Q70CQ4; Q6AW97; Q6ZTC0; Q6ZTN2; Q9ULL7

BACKGROUND:
Ubiquitin-specific-processing protease 31, with alternative names such as Ubiquitin thioesterase 31, is integral to the ubiquitin-proteasome pathway. It recognizes and hydrolyzes ubiquitin's C-terminal Gly, essential for processing ubiquitinated proteins and poly-ubiquitin precursors. This deubiquitinating enzyme's function underscores its importance in maintaining cellular protein homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Ubiquitin-specific-processing protease 31 offers a promising avenue for developing novel therapeutic approaches. Its critical role in the ubiquitin-proteasome system makes it a potential target for modulating protein degradation processes in various diseases.

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