Focused On-demand Library for Mitochondrial enolase superfamily member 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted 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
Q7L5Y1

UPID:
ENOF1_HUMAN

ALTERNATIVE NAMES:
Antisense RNA to thymidylate synthase; L-fuconate dehydratase

ALTERNATIVE UPACC:
Q7L5Y1; A6NMP3; A8K9R5; B3KSL6; B3KXE4; D3DUH0; Q15407; Q15594; Q15595; Q6ZS08; Q9HAS5; Q9HAS6

BACKGROUND:
The protein Mitochondrial enolase superfamily member 1, with alternative names Antisense RNA to thymidylate synthase and L-fuconate dehydratase, is pivotal in L-fucose catabolism. It catalyzes a key step by dehydrating L-fuconate, facilitating the breakdown of carbohydrates integral to glycoprotein structure on cell surfaces.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the rare condition Dyskeratosis congenita, digenic, Mitochondrial enolase superfamily member 1 presents a promising avenue for drug discovery. Its direct involvement in telomere maintenance disorders and the unique ENOSF1-TYMS interaction offer a novel target for developing treatments aimed at mitigating the disease's severe outcomes.

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