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.


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.


We employ our advanced, specialised process to create 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.


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
P51784

UPID:
UBP11_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 11; Ubiquitin thioesterase 11; Ubiquitin-specific-processing protease 11

ALTERNATIVE UPACC:
P51784; B2RTX1; Q8IUG6; Q9BWE1

BACKGROUND:
Ubiquitin-specific-processing protease 11, with alternative names such as Ubiquitin thioesterase 11, is crucial for the regulation of protein stability and function by cleaving ubiquitin chains. Its activity varies across different types of ubiquitin linkages, showing a preference for 'Lys-6' and 'Lys-63'. The enzyme's involvement in NF-kappa-B activation and DNA repair post double-stranded DNA breaks highlights its significance in cellular signaling and genomic integrity. Furthermore, its role in chromatin regulation via deubiquitinating components of the PRC1-like complex underscores its potential in epigenetic studies.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ubiquitin-specific-processing protease 11 could open doors to potential therapeutic strategies.

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