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.


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.


Our high-tech, dedicated method is applied to construct 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
Q9NPH0

UPID:
PPA6_HUMAN

ALTERNATIVE NAMES:
Acid phosphatase 6, lysophosphatidic; Acid phosphatase-like protein 1; PACPL1

ALTERNATIVE UPACC:
Q9NPH0; Q59G61; Q5T490; Q6IAQ3; Q7LG81; Q9UIG6; X5D289

BACKGROUND:
The enzyme Acid phosphatase 6, alternatively named lysophosphatidic or PACPL1, is pivotal in breaking down lysophosphatidic acid containing fatty acids like myristate, oleate, or palmitate into monoacylglycerol. This process is essential for maintaining lipid homeostasis in the body.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Acid phosphatase 6, lysophosphatidic could unveil new therapeutic avenues. Given its key role in lipid processing, targeting this enzyme may offer novel treatments for lipid-related disorders.

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