Focused On-demand Library for Receptor-type tyrosine-protein phosphatase zeta

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


We use our state-of-the-art dedicated workflow for designing focused 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
P23471

UPID:
PTPRZ_HUMAN

ALTERNATIVE NAMES:
Protein-tyrosine phosphatase receptor type Z polypeptide 1; Protein-tyrosine phosphatase receptor type Z polypeptide 2; R-PTP-zeta-2

ALTERNATIVE UPACC:
P23471; A4D0W5; C9JFM0; O76043; Q9UDR6

BACKGROUND:
The protein Receptor-type tyrosine-protein phosphatase zeta, with its alternative identities such as Protein-tyrosine phosphatase receptor type Z polypeptide 1 and 2, and R-PTP-zeta-2, is pivotal in the negative regulation of oligodendrocyte precursor cell proliferation and their subsequent maturation into myelinating oligodendrocytes in the embryonic spinal cord. It also plays a role in apoptosis protection and may influence the establishment of contextual memory through key signaling cascades.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Receptor-type tyrosine-protein phosphatase zeta offers a promising avenue for developing novel therapeutic approaches. Its critical role in oligodendrocyte maturation and survival positions it as a potential target for interventions in neurological disorders, particularly those involving myelin damage or loss.

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