Focused On-demand Library for Myelin regulatory factor

Details

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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused 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
Q9Y2G1

UPID:
MYRF_HUMAN

ALTERNATIVE NAMES:
Myelin gene regulatory factor

ALTERNATIVE UPACC:
Q9Y2G1; O43582; Q9P1Q6

BACKGROUND:
Myelin Regulatory Factor, alternatively named Myelin Gene Regulatory Factor, is a key player in the transcriptional activation of myelin-specific genes critical for CNS myelination. It mediates autocatalytic cleavage to release the N-terminal component that activates myelin gene transcription, essential for oligodendrocyte maturation and CNS myelination. Its binding to DNA sequences in regulatory regions directly activates the expression of myelin genes.

THERAPEUTIC SIGNIFICANCE:
Involvement of the Myelin Regulatory Factor in conditions such as mild Encephalitis/encephalopathy with reversible myelin vacuolization and Cardiac-urogenital syndrome highlights its potential as a target for therapeutic intervention. Exploring the mechanisms by which this protein influences disease could open doors to innovative treatments for these and related disorders.

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