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.


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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
O95870

UPID:
ABHGA_HUMAN

ALTERNATIVE NAMES:
Alpha/beta hydrolase domain-containing protein 16A; HLA-B-associated transcript 5; Monoacylglycerol lipase ABHD16A; Protein G5

ALTERNATIVE UPACC:
O95870; A2BEY3; B7Z4R6; Q5SRR1; Q5SRR2; Q8WYH0; Q9NW33

BACKGROUND:
The enzyme Phosphatidylserine lipase ABHD16A, known under various names including Monoacylglycerol lipase ABHD16A, is pivotal in the hydrolysis of phosphatidylserine, leading to the production of lysophosphatidylserine. This process is essential for regulating immunological and neurological functions. ABHD16A's unique activity profile, including its specificity for certain monoacylglycerols, underscores its significance in lipid signaling pathways.

THERAPEUTIC SIGNIFICANCE:
The association of Phosphatidylserine lipase ABHD16A with Spastic paraplegia 86, a condition marked by neurological decline, underscores the therapeutic potential of targeting this protein. Exploring ABHD16A's function and mechanisms may pave the way for novel treatments for related neurodegenerative diseases.

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