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.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9NVE5

UPID:
UBP40_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 40; Ubiquitin thioesterase 40; Ubiquitin-specific-processing protease 40

ALTERNATIVE UPACC:
Q9NVE5; Q6NX38; Q70EL0

BACKGROUND:
The protein Ubiquitin carboxyl-terminal hydrolase 40, known by alternative names such as Deubiquitinating enzyme 40, Ubiquitin thioesterase 40, and Ubiquitin-specific-processing protease 40, encoded by the gene with accession Q9NVE5, may be catalytically inactive. This characteristic suggests a potentially novel function within the ubiquitin-proteasome pathway, diverging from the known enzymatic roles.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Ubiquitin carboxyl-terminal hydrolase 40 holds promise for unveiling new therapeutic avenues. Its atypical activity profile suggests that it could play a pivotal role in disease mechanisms, offering a fresh perspective for drug development.

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