Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


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


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q9NUJ1

UPID:
ABHDA_HUMAN

ALTERNATIVE NAMES:
Acyl-protein thioesterase ABHD10; Alpha/beta hydrolase domain-containing protein 10; Mycophenolic acid acyl-glucuronide esterase, mitochondrial

ALTERNATIVE UPACC:
Q9NUJ1; B7Z6A8; C9IZX5; D3DN63; Q8TCF9

BACKGROUND:
The mitochondrial enzyme Palmitoyl-protein thioesterase ABHD10, also recognized as Alpha/beta hydrolase domain-containing protein 10, is pivotal in lipid metabolism and cellular defense mechanisms. It facilitates the removal of fatty acids from proteins, enhancing mitochondrial function and antioxidant defense by targeting peroxiredoxin-5/PRDX5. Its activity extends to drug metabolism, specifically deglucuronidation of mycophenolic acid acyl-glucuronide.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Palmitoyl-protein thioesterase ABHD10 offers a promising avenue for developing novel therapeutic interventions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.