Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9UJ83

UPID:
HACL1_HUMAN

ALTERNATIVE NAMES:
2-hydroxyphytanoyl-CoA lyase; Phytanoyl-CoA 2-hydroxylase 2

ALTERNATIVE UPACC:
Q9UJ83; B4DWI1; B4DXI5; E9PEN4; Q9BV42; Q9P0A2

BACKGROUND:
The enzyme 2-hydroxyacyl-CoA lyase 1, with alternative names 2-hydroxyphytanoyl-CoA lyase and Phytanoyl-CoA 2-hydroxylase 2, is essential for peroxisomal fatty acid alpha-oxidation, operating in a thiamine pyrophosphate-dependent manner. It facilitates the cleavage of 3-methyl-branched fatty acids like phytanic acid and aids in the shortening of 2-hydroxy long-chain fatty acids. Its role is also significant in liver heptadecanal biosynthesis, highlighting its importance in metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of 2-hydroxyacyl-CoA lyase 1 could open doors to potential therapeutic strategies.

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