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.


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.


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
Q15678

UPID:
PTN14_HUMAN

ALTERNATIVE NAMES:
Protein-tyrosine phosphatase pez

ALTERNATIVE UPACC:
Q15678; Q5VSI0

BACKGROUND:
The protein Tyrosine-protein phosphatase non-receptor type 14, with alternative name Protein-tyrosine phosphatase pez, is crucial for regulating lymphangiogenesis, cell-cell and cell-matrix adhesion, cell migration, and growth. It negatively regulates the oncogenic properties of YAP in a density-dependent manner and mediates beta-catenin dephosphorylation, suggesting a tumor suppressive function.

THERAPEUTIC SIGNIFICANCE:
Its association with Choanal atresia and lymphedema due to gene variants underscores the therapeutic potential of Tyrosine-protein phosphatase non-receptor type 14. Exploring its function offers promising avenues for developing targeted therapies for related disorders.

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.