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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted 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
Q9NXJ5

UPID:
PGPI_HUMAN

ALTERNATIVE NAMES:
5-oxoprolyl-peptidase; Pyroglutamyl aminopeptidase I; Pyroglutamyl-peptidase I; Pyrrolidone-carboxylate peptidase

ALTERNATIVE UPACC:
Q9NXJ5; A8K1Q3; Q8IVT1

BACKGROUND:
Pyroglutamyl-peptidase 1, with its alternative names including Pyroglutamyl aminopeptidase I and Pyrrolidone-carboxylate peptidase, is essential for the removal of 5-oxoproline from penultimate amino acid residues. This specificity underlines its importance in the breakdown and synthesis of proteins.

THERAPEUTIC SIGNIFICANCE:
The exploration of Pyroglutamyl-peptidase 1's function offers a promising avenue for the development of novel therapeutic approaches. By delving into its enzymatic mechanisms, researchers can identify new drug targets, potentially leading to breakthrough treatments.

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