AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tyrosinase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

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:

Tyrosinase, a copper-containing oxidase, plays a pivotal role in melanin synthesis, catalyzing the conversion of tyrosine to DOPA and DOPA-quinone, essential steps in pigment formation. Known by alternative names such as Monophenol monooxygenase and Tumor rejection antigen AB, its activity is crucial for coloration in skin, hair, and eyes.

Therapeutic significance:

Tyrosinase's malfunction is linked to Albinism, oculocutaneous types 1A and 1B, disorders marked by an absence or reduction of melanin, leading to increased UV sensitivity and vision problems. Targeting tyrosinase activity offers a pathway to treat these pigmentary disorders, highlighting its therapeutic potential.

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