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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
Q70CQ3

UPID:
UBP30_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 30; Ubiquitin thioesterase 30; Ubiquitin-specific-processing protease 30

ALTERNATIVE UPACC:
Q70CQ3; Q8WTU7; Q96JX4; Q9BSS3

BACKGROUND:
Ubiquitin-specific-processing protease 30, with alternative names such as Ubiquitin thioesterase 30, is a key enzyme tethered to the mitochondrial outer membrane. It counteracts parkin's action in mitophagy by hydrolyzing ubiquitin from proteins like RHOT1/MIRO1 and TOMM20, and does not efficiently cleave polyubiquitin phosphorylated at 'Ser-65'.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin-specific-processing protease 30 offers a promising avenue for developing novel therapeutic approaches in conditions characterized by impaired mitochondrial function and mitophagy.

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