Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q8NFV4

UPID:
ABHDB_HUMAN

ALTERNATIVE NAMES:
Alpha/beta hydrolase domain-containing protein 11; Williams-Beuren syndrome chromosomal region 21 protein

ALTERNATIVE UPACC:
Q8NFV4; H7BYM8; Q6PJU0; Q8N722; Q8N723; Q8NFV2; Q8NFV3; Q9HBS8

BACKGROUND:
The Protein ABHD11, with alternative names such as Alpha/beta hydrolase domain-containing protein 11 and Williams-Beuren syndrome chromosomal region 21 protein, is pivotal in biological systems. The protein's structure and function suggest a significant role in the biochemical pathways of cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Protein ABHD11 holds the promise of unveiling novel therapeutic approaches. The protein's critical role in cellular processes positions it as an attractive target for the development of innovative drugs.

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