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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9UJ68

UPID:
MSRA_HUMAN

ALTERNATIVE NAMES:
Peptide-methionine (S)-S-oxide reductase; Protein-methionine-S-oxide reductase

ALTERNATIVE UPACC:
Q9UJ68; E9PAS8; Q52TC4; Q549N4; Q66MI7

BACKGROUND:
The enzyme Mitochondrial peptide methionine sulfoxide reductase, with alternative names Peptide-methionine (S)-S-oxide reductase and Protein-methionine-S-oxide reductase, is essential for the repair of oxidatively damaged proteins. It achieves this by catalyzing the reduction of methionine sulfoxide back to methionine, thus maintaining protein function and cellular health.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Mitochondrial peptide methionine sulfoxide reductase offers a promising avenue for developing new therapeutic approaches. Its critical role in managing oxidative stress suggests its utility in designing treatments for conditions characterized by oxidative damage.

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