Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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

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.


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
P14679

UPID:
TYRO_HUMAN

ALTERNATIVE NAMES:
LB24-AB; Monophenol monooxygenase; SK29-AB; Tumor rejection antigen AB

ALTERNATIVE UPACC:
P14679; Q15675; Q15676; Q15680; Q8TAK4; Q9BYY0; Q9BZX1

BACKGROUND:
The enzyme Tyrosinase, identified by the code P14679, is central to pigment biosynthesis, initiating the melanin production cascade from tyrosine. Its alternative names, including LB24-AB and SK29-AB, reflect its diverse roles and recognition in various studies.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Tyrosinase could open doors to potential therapeutic strategies for conditions like Albinism, oculocutaneous types 1A and 1B, by modulating its enzymatic activity to correct pigment deficiencies.

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